AG00GA4N

85452-79-5 | (Z)-3-(1H-Indol-3-yl)acrylonitrile

AG00GA4N

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CAS Number	85452-79-5
Catalog Number	AG00GA4N(AGN-PC-0WAINE)
Chemical Name	(Z)-3-(1H-Indol-3-yl)acrylonitrile
IUPAC Name	(Z)-3-(1H-indol-3-yl)prop-2-enenitrile
InChI	InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3-
InChI Key	GQCABHQDRZQIOP-ARJAWSKDSA-N
MDL Number	MFCD28125617
Molecular Formula	C11H8N2
Molecular Weight	168.1946
SMILES	N#C/C=CC1=CNC2=C1C=CC=C2
Synonyms	(Z)-3-(1H-Indol-3-yl)acrylonitrile, 85452-79-5, CHEMBL1812542, AK161041, BDBM50350295, MFCD28125617, ZINC14517561, AKOS024464450, DS-9844, FCH4172374, AJ-64956, AX8294026, ST24036517,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	168.069g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.199g/mol
Monoisotopic Mass	168.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number