AG00AP64

169463-44-9 | 5-CYANO-1H-INDOLE-2-CARBOXYLIC ACID

AG00AP64

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CAS Number	169463-44-9
Catalog Number	AG00AP64(AGN-PC-0LWYMQ)
Chemical Name	5-CYANO-1H-INDOLE-2-CARBOXYLIC ACID
IUPAC Name	5-cyano-1H-indole-2-carboxylic acid
InChI	InChI=1S/C10H6N2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12H,(H,13,14)
InChI Key	AXAUNIVIEFHPSY-UHFFFAOYSA-N
MDL Number	MFCD08277073
Molecular Formula	C10H6N2O2
Molecular Weight	186.1668
SMILES	C(#N)C=1C=C2C=C(NC2=CC1)C(=O)O
Synonyms	5-cyano-1H-indole-2-carboxylic Acid, 169463-44-9, 1H-Indole-2-carboxylic acid, 5-cyano-, AC1OG84Y, SCHEMBL1609672, CTK8H2131, DTXSID40428007, AXAUNIVIEFHPSY-UHFFFAOYSA-N, KS-000004QK, ZINC4237900, FCH859219, MFCD08277073, AKOS006285002, SB12950, AS-52624, AX8276753, CS-0050504, CID7144625,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.17g/mol
Monoisotopic Mass	186.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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