AG00DILE

443144-24-9 | Methyl 3-cyano-1H-indole-7-carboxylate

AG00DILE

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CAS Number	443144-24-9
Catalog Number	AG00DILE(AGN-PC-007GE7)
Chemical Name	Methyl 3-cyano-1H-indole-7-carboxylate
IUPAC Name	methyl 3-cyano-1H-indole-7-carboxylate
InChI	InChI=1S/C11H8N2O2/c1-15-11(14)9-4-2-3-8-7(5-12)6-13-10(8)9/h2-4,6,13H,1H3
InChI Key	GXGCVEVNRZWNRA-UHFFFAOYSA-N
MDL Number	MFCD11976634
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	O=C(C1=CC=CC2=C1NC=C2C#N)OC
Synonyms	Methyl 3-cyano-1H-indole-7-carboxylate, 443144-24-9, AK-79630, 1H-INDOLE-7-CARBOXYLIC ACID,3-CYANO-,METHYL ESTER, IND049, SCHEMBL5409892, CTK8B5044, DTXSID60463339, GXGCVEVNRZWNRA-UHFFFAOYSA-N, methyl 3-cyanoindole-7-carboxylate, KS-000005AJ, ANW-47194, MFCD11976634, ZINC71973924, AKOS015919765, DS-1741, FS-3318, BR-79630, CJ-21631, SC-13010, SC-31176, AB0024953, AJ-119011, AX8225601, DB-032413, TC-135939, 4CH-011398, FT-0696987, ST24025293, W6320, S-5959, 1H-Indole-7-carboxylic acid, 3-cyano-, methyl ester, C11H8N2O2, Methyl3-cyano-1H-indole-7-carboxylate, CID11356098, 1235450-86-8,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.059g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.197g/mol
Monoisotopic Mass	200.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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