AG00I490

21883-13-6 | Benzonitrile, 4-methoxy-2-methyl-

AG00I490

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CAS Number	21883-13-6
Catalog Number	AG00I490(AGN-PC-0L09C1)
Chemical Name	Benzonitrile, 4-methoxy-2-methyl-
IUPAC Name	4-methoxy-2-methylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,1-2H3
InChI Key	PXAQQUKODRZAOZ-UHFFFAOYSA-N
MDL Number	MFCD03425692
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	N#CC1=CC=C(OC)C=C1C
Synonyms	4-methoxy-2-methylbenzonitrile, 21883-13-6, Benzonitrile, 4-methoxy-2-methyl-, 4-Cyano-3-methylanisole, AC1MWL71, KSC494O9P, SCHEMBL509379, 2-Methyl-4-methoxybenzonitrile, 4-methoxy-2-methyl-benzonitrile, CTK3J4797, DTXSID40396611, Benzonitrile,4-methoxy-2-methyl-, PXAQQUKODRZAOZ-UHFFFAOYSA-N, 2-methyl-4-(methyloxy)benzonitrile, ACT12915, ZINC2580672, ANW-46410, MFCD03425692, AKOS006343473, AS07023, MCULE-5076723924, MS-1940, RTR-010260, KS-00000O63, AJ-42882, AK-86230, CJ-10197, SC-42941, SY024381, ST2405854, TR-010260, FT-0676574, W4517, MFCD03425692 (95%), J-014329, I01-14566, C9H9NO, ZINC02580672, CID3801022, C-5248,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

Lot Number