AG003H44

21962-47-0 | 2-cyano-4-methoxybenzaldehyde

AG003H44

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CAS Number	21962-47-0
Catalog Number	AG003H44(AGN-PC-0QYHZU)
Chemical Name	2-cyano-4-methoxybenzaldehyde
IUPAC Name	2-formyl-5-methoxybenzonitrile
InChI	InChI=1S/C9H7NO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,1H3
InChI Key	KEDMRUNNPUDXOQ-UHFFFAOYSA-N
MDL Number	MFCD08275456
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	C(#N)C1=C(C=O)C=CC(=C1)OC
Synonyms	2-Cyano-4-methoxybenzaldehyde, 21962-47-0, 2-formyl-5-methoxybenzonitrile, PubChem17011, ACMC-20a0lq, 2-cyano-4-methoxybenzaldeyde, KSC495E8J, 5-Methoxy-2-formylbenzonitrile, SCHEMBL7433184, CTK3J5284, DTXSID70676372, Benzonitrile,2-formyl-5-methoxy-, KEDMRUNNPUDXOQ-UHFFFAOYSA-N, ACT00669, KS-000000RH, ANW-51708, CC-799, CL8274, MFCD08275456, ZINC37594114, AKOS006230141, AM84037, AS06463, CM10827, CS-W021681, GS-4428, RP22404, RTC-030176, VZ24453, AJ-94113, BR-34146, CJ-19067, AB0031611, DB-006095, ST2416833, TC-030176, 4CH-015160, A4706, FT-0080159, FT-0600725, X4752, S-3514, J-509194, C9H7NO2, RP22410,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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