Cas no 133331-79-0 (Benzeneacetic acid,4-amino-3-hydroxy-)
133331-79-0 structure
Product Name:Benzeneacetic acid,4-amino-3-hydroxy-
CAS No:133331-79-0
MF:C8H9NO3
MW:167.161962270737
CID:140082
PubChem ID:124257
Update Time:2025-04-19
Benzeneacetic acid,4-amino-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-amino-3-hydroxy-
- 2-(4-amino-3-hydroxyphenyl)acetic acid
- 4-Ahpa
- 4-Amino-3-hydroxybenzeneacetic acid
- 4-Amino-3-hydroxyphenylacetic acid
- Benzeneacetic acid, 4-amino-3-hydroxy-
- 2-(4-amino-3-hydroxyphenyl)aceticacid
- 133331-79-0
- DTXSID50158080
- SCHEMBL6377974
-
- Inchi： 1S/C8H9NO3/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,10H,4,9H2,(H,11,12)
- InChI Key： PZBRNLKXQFPHIP-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)CC(=O)O)N
Computed Properties
- Exact Mass: 167.05827
- Monoisotopic Mass: 167.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55
Benzeneacetic acid,4-amino-3-hydroxy- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
133331-79-0 (Benzeneacetic acid,4-amino-3-hydroxy-) Related Products
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