AG00DLOT

53078-71-0 | 4-Methoxy-3-methylbenzonitrile

AG00DLOT

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CAS Number	53078-71-0
Catalog Number	AG00DLOT(AGN-PC-00NBKM)
Chemical Name	4-Methoxy-3-methylbenzonitrile
IUPAC Name	4-methoxy-3-methylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,1-2H3
InChI Key	NMVJHSDSGDKQIR-UHFFFAOYSA-N
MDL Number	MFCD12797513
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	N#CC1=CC=C(OC)C(C)=C1
Synonyms	4-methoxy-3-methylbenzonitrile, 53078-71-0, 4-Cyano-2-methylanisole, AC1Q44OJ, SCHEMBL931494, Benzonitrile,4-methoxy-3-methyl-, NMVJHSDSGDKQIR-UHFFFAOYSA-N, Benzonitrile, 4-methoxy-3-methyl-, KS-00003T0P, MFCD12797513, ZINC34108788, AKOS008968532, AS03767, MCULE-2854428206, NE19503, SC-45096, TS-01921, EN300-64406, Z57900343,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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