AG003GHV

311310-97-1 | 2-AMINO-6-(METHOXYCARBONYL)BENZOIC ACID HCL

AG003GHV

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CAS Number	311310-97-1
Catalog Number	AG003GHV(AGN-PC-0WA63J)
Chemical Name	2-AMINO-6-(METHOXYCARBONYL)BENZOIC ACID HCL
IUPAC Name	2-amino-6-methoxycarbonylbenzoic acid;hydrochloride
InChI	InChI=1S/C9H9NO4.ClH/c1-14-9(13)5-3-2-4-6(10)7(5)8(11)12;/h2-4H,10H2,1H3,(H,11,12);1H
InChI Key	VDKKHVAEYCYZSU-UHFFFAOYSA-N
MDL Number	MFCD22200908
Molecular Formula	C9H10ClNO4
Molecular Weight	231.6330
SMILES	O=C(O)C1=C(C(OC)=O)C=CC=C1N.[H]Cl
Synonyms	311310-97-1, 2-Amino-6-(methoxycarbonyl)benzoic Acid Hydrochloride, 2-AMINO-6-(METHOXYCARBONYL)BENZOIC ACID HCL, C9H9NO4.HCl, KS-00000CVW, 5455AJ, MFCD22200908, AKOS024438678, TRA0059582, AS-32334, SY025265, AB0058609, W-1236, MFCD22200908 (95+%), 2-Amino-6-(methoxycarbonyl)benzoicAcidHydrochloride, 2-Amino-6-methoxycarbonyl benzoic acid hydrochloride, 2-amino-6-methoxycarbonylbenzoic acid;hydrochloride, 2-Amino-6-methoxycarbonyl benzoic acid hydrochloride 3-Amino-phthalic acid 1-methyl ester hydrochloride, 103259-06-9,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	231.632g/mol
Monoisotopic Mass	231.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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