AG002U7F

27609-91-2 | Benzonitrile, 4-formyl-3-methyl-

AG002U7F

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CAS Number	27609-91-2
Catalog Number	AG002U7F(AGN-PC-0NCNQJ)
Chemical Name	Benzonitrile, 4-formyl-3-methyl-
IUPAC Name	4-formyl-3-methylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4,6H,1H3
InChI Key	GVWRWNKPXVHRPJ-UHFFFAOYSA-N
MDL Number	MFCD18394297
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	N#CC1=CC=C(C=O)C(C)=C1
Synonyms	4-Formyl-3-methylbenzonitrile, 27609-91-2, 4-Cyano-2-methylbenzaldehyde, 4-formyl-3-methyl-benzonitrile, 4-Formyl-m-tolunitrile, Benzonitrile, 4-formyl-3-methyl- (9CI), 3-methyl-4-formylbenzonitrile, SCHEMBL2460307, KS-00000RSE, GVWRWNKPXVHRPJ-UHFFFAOYSA-N, Benzonitrile, 4-formyl-3-methyl-, MFCD18394297, ZINC39061547, AKOS022174494, CS-W022185, DS-6497, AJ-97813, AK138989, DA-07410, SC-31226, ST2405812, 4CH-017526, FT-0747514, Z0464, Q-7440, C9H7NO, CID10909695,

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

Lot Number