AG003JMW

3556-60-3 | 3-Methoxy-4-methylbenzonitrile

AG003JMW

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CAS Number	3556-60-3
Catalog Number	AG003JMW(AGN-PC-002FUR)
Chemical Name	3-Methoxy-4-methylbenzonitrile
IUPAC Name	3-methoxy-4-methylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,1-2H3
InChI Key	QLJZMAGXHHXXMS-UHFFFAOYSA-N
MDL Number	MFCD03428590
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	COC1=C(C)C=CC(=C1)C#N
Synonyms	3-Methoxy-4-methylbenzonitrile, 3556-60-3, 5-Cyano-2-methylanisole, 4-Cyano-2-methoxytoluene, 3-methoxy-4-methylcyano-benzene, 3-Methoxy-4-methyl-benzonitrile, Benzonitrile, 3-methoxy-4-methyl-, ACMC-1BNCW, KSC494Q9H, SCHEMBL1716190, CTK3J4893, DTXSID70563637, QLJZMAGXHHXXMS-UHFFFAOYSA-N, ZINC2586040, ANW-28236, CM-265, MFCD03428590, AKOS009157477, AS03759, CM13132, MCULE-6112081249, PS-3441, TRA-0207045, AJ-43684, AK-34826, CJ-10416, S685, SC-77796, AB0018730, RT-002241, M1977, ST24042269, A21200, K-8044, I14-58283, Z1414093197, C9H9NO, 1,3-Bis(chloromethyl)benzene,

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	6.1
Hazard statements	H301+H311+H331-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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