AG0071F4

41684-07-5 | 4-Amino-3-(methoxycarbonyl)benzoic acid

AG0071F4

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CAS Number	41684-07-5
Catalog Number	AG0071F4(AGN-PC-0JD5U4)
Chemical Name	4-Amino-3-(methoxycarbonyl)benzoic acid
IUPAC Name	4-amino-3-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H9NO4/c1-14-9(13)6-4-5(8(11)12)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChI Key	XEOVONVMDYDZRL-UHFFFAOYSA-N
MDL Number	MFCD11845550
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(O)C1=CC=C(N)C(C(OC)=O)=C1
Synonyms	4-amino-3-(methoxycarbonyl)benzoic acid, 41684-07-5, 4-Amino-3-methoxycarbonyl benzoic acid, AK140948, SCHEMBL2722810, KS-00000RTG, DTXSID90508141, XEOVONVMDYDZRL-UHFFFAOYSA-N, MFCD11845550, ZINC33494678, AKOS002677361, DS-7173, FCH1134191, QC-2827, ACM41684075, AJ-86162, AX8281156, DB-070207, FT-0728473,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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