AG002U85

27613-33-8 | Benzonitrile, 2-formyl-5-methyl-

AG002U85

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CAS Number	27613-33-8
Catalog Number	AG002U85(AGN-PC-07AC4A)
Chemical Name	Benzonitrile, 2-formyl-5-methyl-
IUPAC Name	2-formyl-5-methylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7-2-3-8(6-11)9(4-7)5-10/h2-4,6H,1H3
InChI Key	HQENAWFYEWLGTH-UHFFFAOYSA-N
MDL Number	MFCD18394293
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	N#CC1=CC(C)=CC=C1C=O
Synonyms	2-formyl-5-methylbenzonitrile, 27613-33-8, Benzonitrile, 2-formyl-5-methyl-, 2-Cyano-4-methylbenzaldehyde, SCHEMBL583644, 2-Formyl-5-methyl-benzonitrile, KS-00000SPT, HQENAWFYEWLGTH-UHFFFAOYSA-N, MFCD18394293, ZINC39061545, AKOS025117430, AS06373, CM10508, CS-W021698, DS-8440, AK164252, ST24040644, Phthalaldehydonitrile,5-methyl-,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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