AG002U98

27613-35-0 | Benzonitrile, 4-formyl-2-methyl-

AG002U98

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CAS Number	27613-35-0
Catalog Number	AG002U98(AGN-PC-07AC49)
Chemical Name	Benzonitrile, 4-formyl-2-methyl-
IUPAC Name	4-formyl-2-methylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7-4-8(6-11)2-3-9(7)5-10/h2-4,6H,1H3
InChI Key	XMNVHPRNQXBJDI-UHFFFAOYSA-N
MDL Number	MFCD18394298
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	C(#N)C1=C(C=C(C=O)C=C1)C
Synonyms	4-Formyl-2-methylbenzonitrile, 27613-35-0, 4-Cyano-3-methylbenzaldehyde, Benzonitrile, 4-formyl-2-methyl-, SCHEMBL1795902, XMNVHPRNQXBJDI-UHFFFAOYSA-N, MFCD18394298, ZINC39061541, CS-W000014, NE47656, AS-46373, DA-07408, FT-0750515, Benzonitrile,4-formyl-2-methyl-, Benzonitrile, 4-formyl-2-methyl- (9CI),

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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