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1882-72-0 | Benzoic acid, 2-amino-5-hydroxy-, methyl ester
CAS No: 1882-72-0 Catalog No: AG002GRN MDL No:MFCD05863263
Product Description
Catalog Number:
AG002GRN
Chemical Name:
Benzoic acid, 2-amino-5-hydroxy-, methyl ester
CAS Number:
1882-72-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD05863263
IUPAC Name:
methyl 2-amino-5-hydroxybenzoate
InChI:
InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4,10H,9H2,1H3
InChI Key:
DWBKSTKVIIRFHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)ccc1N
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:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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