AG003KO4

5628-44-4 | 4-Amino-2,3-dimethylbenzoic acid

AG003KO4

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CAS Number	5628-44-4
Catalog Number	AG003KO4(AGN-PC-0KKP2A)
Chemical Name	4-Amino-2,3-dimethylbenzoic acid
IUPAC Name	4-amino-2,3-dimethylbenzoic acid
InChI	InChI=1S/C9H11NO2/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key	XLSZENRVQPEAHK-UHFFFAOYSA-N
MDL Number	MFCD04114099
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	CC1=C(N)C=CC(C(O)=O)=C1C
Synonyms	4-amino-2,3-dimethylbenzoic acid, 5628-44-4, 4-Amino-2,3-dimethyl-benzoic acid, 4-Amino-2,3-dimethyl-benzoicacid, 4-mino-2,3-imethyl-benzoic acid, Benzoic acid, 4-amino-2,3-dimethyl-, AC1MC7BO, dimethyl-p-aminobenzoic acid, SCHEMBL93998, AE-562/43286945, CTK5A4916, DTXSID70376441, XLSZENRVQPEAHK-UHFFFAOYSA-N, ZINC2598962, ANW-57831, MFCD04114099, SBB087921, Benzoic acid,4-amino-2,3-dimethyl-, AKOS006294897, CM12387, KS-000002D3, AJ-43805, AK-35654, AS-19331, DB-006621, TR-019772, A8083, CS-0028787, FT-0081045, FT-0600162, ST24043196, X6999, A57403, I01-15675, C9H11NO2, 4-Amino-2,3-dimethylbenzoicacid, RW1341, CB10793, CID2762777,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number