AG00DG7V

53078-69-6 | 2-Methoxy-4-methylbenzonitrile

AG00DG7V

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CAS Number	53078-69-6
Catalog Number	AG00DG7V(AGN-PC-0NJ63Y)
Chemical Name	2-Methoxy-4-methylbenzonitrile
IUPAC Name	2-methoxy-4-methylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-7-3-4-8(6-10)9(5-7)11-2/h3-5H,1-2H3
InChI Key	AFCQKLCTKJQOFR-UHFFFAOYSA-N
MDL Number	MFCD11847156
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	COC1=C(C#N)C=CC(=C1)C
Synonyms	2-METHOXY-4-METHYLBENZONITRILE, 53078-69-6, 2-CYANO-5-METHYLANISOLE, KSC494S7B, 4-methyl-2-methoxybenzonitrile, SCHEMBL2614475, CTK3J4970, 4-CYANO-3-METHOXYTOLUENE, DTXSID30500361, AFCQKLCTKJQOFR-UHFFFAOYSA-N, ANW-51661, CL8173, MFCD11847156, ZINC28278662, AKOS011585701, AS05867, CM13131, KS-00000N45, AJ-83436, AK-49163, BR-49163, CJ-17673, DS-14970, SC-32591, AB0025316, RT-002284, 4CH-006094, FT-0714366, ST24032499, W6756, S-6639, Z1741976870, C9H9NO,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number