Para Acetil Amino Fenol
Para Acetil Amino Fenol
Para Acetil Amino Fenol
PubChem CID
129631965
Structure
Molecular Formula
C8H11NO2
Synonyms
p-Acetyl-para-aminophenol
Molecular Weight
153.18 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
Create:
2017-09-13
Modify:
2024-05-04
1 Structures
1.1 2D Structure
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1.2 3D Conformer
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2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1-amino-4-hydroxycyclohexa-2,4-dien-1-yl)ethanone
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
PubChem
2.1.2 InChI
InChI=1S/C8H11NO2/c1-6(10)8(9)4-2-7(11)3-5-8/h2-4,11H,5,9H2,1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PubChem
2.1.3 InChIKey
RJBVUQOKBXKGEN-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PubChem
2.1.4 Canonical SMILES
CC(=O)C1(CC=C(C=C1)O)N
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
PubChem
2.2 Molecular Formula
C8H11NO2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
PubChem
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms
p-Acetyl-para-aminophenol
PubChem
3 Chemical and Physical Properties
3.1 Computed Properties
Property Name
Property Value
Reference
Molecular Weight
153.18 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
XLogP3-AA
-0.1
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Hydrogen Bond Donor Count
2
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Hydrogen Bond Acceptor Count
3
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Rotatable Bond Count
1
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Exact Mass
153.078978594 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Monoisotopic Mass
153.078978594 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Topological Polar Surface Area
63.3Ų
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Heavy Atom Count
11
Computed by PubChem
Formal Charge
0
Computed by PubChem
Complexity
243
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Isotope Atom Count
0
Computed by PubChem
Defined Atom Stereocenter Count
0
Computed by PubChem
Undefined Atom Stereocenter Count
1
Computed by PubChem
Defined Bond Stereocenter Count
0
Computed by PubChem
Undefined Bond Stereocenter Count
0
Computed by PubChem
Covalently-Bonded Unit Count
1
Computed by PubChem
Compound Is Canonicalized
Yes
Computed by PubChem (release 2016.09.28)
PubChem
4 Related Records
4.1 Related Compounds
Mixtures, Components, and Neutralized Forms Count
1
Similar Conformers Count
2378
PubChem
4.2 Substances
4.2.1 Related Substances
All Count
4
Same Count
3
Mixture Count
1
PubChem
4.2.2 Substances by Category
3 categories
Download
PubChem
5 Literature
5.1 Consolidated References
1 item
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PMID: 8983934
DOI: 10.1007/bf03190246
PubChem
5.2 Springer Nature References
1 item
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Springer Nature
6 Patents
6.1 Depositor-Supplied Patent Identifiers
2 items
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PubChem
Link to all deposited patent identifiers
PubChem
6.2 WIPO PATENTSCOPE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RJBVUQOKBXKGEN-
UHFFFAOYSA-N
PATENTSCOPE (WIPO)
7 Information Sources
FILTER BY SOURCE
1. Springer Nature
https://pubchem.ncbi.nlm.nih.gov/substance/?
source=15745&sourceid=11043469-970339163
2. PubChem
https://pubchem.ncbi.nlm.nih.gov
3. PATENTSCOPE (WIPO)
SID 387703091
https://pubchem.ncbi.nlm.nih.gov/substance/387703091