AG00DFNQ

4481-28-1 | 3-Carboxamidobenzoic acid

AG00DFNQ

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CAS Number	4481-28-1
Catalog Number	AG00DFNQ(AGN-PC-0KNV1X)
Chemical Name	3-Carboxamidobenzoic acid
IUPAC Name	3-carbamoylbenzoic acid
InChI	InChI=1S/C8H7NO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChI Key	FVUKYCZRWSQGAS-UHFFFAOYSA-N
MDL Number	MFCD09025701
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	O=C(O)C1=CC=CC(C(N)=O)=C1
UNII	86ZTG9TZOB
Synonyms	3-carbamoylbenzoic acid, 4481-28-1, 3-(Aminocarbonyl)benzoic acid, Isophthalamic acid, Benzoic acid, 3-(aminocarbonyl)-, 3-Carboxamidobenzoic acid, UNII-86ZTG9TZOB, 86ZTG9TZOB, 3-(Aminocarbonyl)-benzoic acid, isophthalic amide, 3-carboxybenzamide, AC1MHZI0, 3-Carboxyamidobenzoic acid, AC1Q4ZA1, SCHEMBL46891, CHEBI:50737, CTK7D2720, KS-00000OOG, DTXSID30196309, FVUKYCZRWSQGAS-UHFFFAOYSA-N, ZINC2529286, 6179AB, ANW-43021, MFCD04118098, 3-carboxamidobenzoic acid, AldrichCPR, AKOS009163818, MCULE-4538252947, AJ-38424, AK-64352, BS-13640, TC-131766, EN300-30464, K-8986, 34568-EP2301536A1, 34568-EP2301538A1, 34568-EP2311455A1, Z367450908, 3-Carbamoylbenzoicacid, C8H7NO3, 3-CARBOXAMIDOBENZOICACID, C8-H7-N-O3, CID3014284,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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