AG00I7VL

401568-70-5 | Benzoic acid, 2-amino-4-hydroxy-, methyl ester

AG00I7VL

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CAS Number	401568-70-5
Catalog Number	AG00I7VL(AGN-PC-02SBQH)
Chemical Name	Benzoic acid, 2-amino-4-hydroxy-, methyl ester
IUPAC Name	methyl 2-amino-4-hydroxybenzoate
InChI	InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,9H2,1H3
InChI Key	JQBBOJKNCVSVOF-UHFFFAOYSA-N
MDL Number	MFCD08274816
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(OC)C1=CC=C(O)C=C1N
Synonyms	Methyl 2-amino-4-hydroxybenzoate, 401568-70-5, Benzoic acid, 2-amino-4-hydroxy-, methyl ester, SCHEMBL4826905, JQBBOJKNCVSVOF-UHFFFAOYSA-N, MFCD08274816, ZINC13352606, AKOS022189975, MCULE-2816278883, NE61814, AJ-63707, AK150591, AS-30292, DA-42525, 2-amino-4-hydroxy-benzoic acid methyl ester, FT-0732836, Z1688198387,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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