AG00305P

30448-16-9 | 1H-Indole-3-carboxylic acid, 7-methyl-

AG00305P

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CAS Number	30448-16-9
Catalog Number	AG00305P(AGN-PC-002MOE)
Chemical Name	1H-Indole-3-carboxylic acid, 7-methyl-
IUPAC Name	7-methyl-1H-indole-3-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-3-2-4-7-8(10(12)13)5-11-9(6)7/h2-5,11H,1H3,(H,12,13)
InChI Key	SRYCADDCUWPWAE-UHFFFAOYSA-N
MDL Number	MFCD06203634
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC2=C1[NH]C=C(C1=CC=C2)C(=O)O
Synonyms	7-Methyl-1H-indole-3-carboxylic acid, 30448-16-9, 7-METHYLINDOLE-3-CARBOXYLIC ACID, 1H-Indole-3-carboxylic acid, 7-methyl-, PubChem8334, SCHEMBL3978031, CTK1C2006, KS-00000FIX, 7-methyl-3-indolecarboxylic acid, 7-methylindole-3-carboxylic aicd, DTXSID90564282, SRYCADDCUWPWAE-UHFFFAOYSA-N, ACT07074, ANW-49561, CM-739, MFCD06203634, ZINC20269198, AKOS005362550, FS-3212, QC-1562, AJ-76733, AK-54788, AN-16432, BR-54788, SC-03286, SY058809, AB0024088, DB-003575, TC-020220, 4CH-006975, CS-0043730, FT-0655601, ST24029964, W5286, MFCD06203634 (95%), S-5145, A820379, I10-0173, C10H9NO2, 7-Methyl-indole-3-carboxylic acid, 7-METHYLINDOLE-3-CARBOXYLICACID,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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