AG00BCSW

22442-48-4 | 3-(4-Methoxyphenyl)propanenitrile

AG00BCSW

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CAS Number	22442-48-4
Catalog Number	AG00BCSW(AGN-PC-0JS96O)
Chemical Name	3-(4-Methoxyphenyl)propanenitrile
IUPAC Name	3-(4-methoxyphenyl)propanenitrile
InChI	InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChI Key	ORAXBZFDDWPRRD-UHFFFAOYSA-N
MDL Number	MFCD00016404
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	COC1=CC=C(CCC#N)C=C1
Synonyms	3-(4-Methoxyphenyl)propionitrile, 22442-48-4, 3-(4-Methoxyphenyl)propanenitrile, 3-(p-Methoxyphenyl)propionitrile, p-Methoxyhydrocinnamonitrile, 4-Methoxybenzenepropanenitrile, BRN 2090556, Hydrocinnamonitrile, p-methoxy-, beta-(4-Methoxyphenyl)propionitrile, Benzenepropanenitrile, 4-methoxy- (9CI), Benzenepropanenitrile,4-methoxy-, ORAXBZFDDWPRRD-UHFFFAOYSA-N, .beta.(p-Methoxyphenyl)propionitrile, 4-Methoxy-Benzenepropanenitrile, AC1LATEE, 4-10-00-00638 (Beilstein Handbook Reference), SCHEMBL1343898, b-(p-methoxyphenyl)propionitrile, 3-(p methoxyphenyl)propionitrile, CTK4E9512, 3-(4-Methoxyohenyl)propionitrile, DTXSID70176983, Benzenepropanenitrile, 4-methoxy-, 3-(4-methoxyphenyl)-propionitrile, 3-(4-Methoxyphenyl)propionitrile,, beta-(p-methoxyphenyl)propionitrile, ZINC2146840, 3-(4-methoxy-phenyl)-propionitrile, 1339AB, 3-(4-Methoxyphenyl)propanenitrile #, ANW-56148, MFCD00016404, AKOS012322949, FS-4694, MCULE-7605606305, RP22427, AJ-33610, CJ-33013, LS-77226, ST023662, DB-021667, TR-010566, FT-0676390, A18477, J-510729, I14-29039, 2-iodobenzenesulfonic Acid, C10H11NO, C10-H11-N-O, CID519953, ACN-039636,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number