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133331-79-0 | Benzeneacetic acid, 4-amino-3-hydroxy-
CAS No: 133331-79-0 Catalog No: AG0014NK MDL No:
Product Description
Catalog Number:
AG0014NK
Chemical Name:
Benzeneacetic acid, 4-amino-3-hydroxy-
CAS Number:
133331-79-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
2-(4-amino-3-hydroxyphenyl)acetic acid
InChI:
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:
OC(=O)Cc1ccc(c(c1)O)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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