AG002Q0Y

24964-64-5 | Benzonitrile, 3-​formyl-

AG002Q0Y

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CAS Number	24964-64-5
Catalog Number	AG002Q0Y(AGN-PC-0JLYSN)
Chemical Name	Benzonitrile, 3-​formyl-
EC Number	246-549-1
IUPAC Name	3-formylbenzonitrile
InChI	InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChI Key	HGZJJKZPPMFIBU-UHFFFAOYSA-N
MDL Number	MFCD00003344
Molecular Formula	C8H5NO
Molecular Weight	131.1314
SMILES	C(#N)c1cc(C=O)ccc1
Synonyms	3-Cyanobenzaldehyde, 24964-64-5, 3-Formylbenzonitrile, m-cyanobenzaldehyde, Benzonitrile, 3-formyl-, m-Formylbenzonitrile, 3-FormYl-Benzonitrile, MFCD00003344, HGZJJKZPPMFIBU-UHFFFAOYSA-N, 3-formylbenzenecarbonitrile, 3-Cyanobenzaldehyde, 99%, M-cyanobenazldehyde, 3cyano-benzaldehyde, EINECS 246-549-1, m-cyano benzaldehyde, 3-cyano benzaldehyde, 3-cyano-benzaldehyde, meta-cyanobenzaldehyde, PubChem7766, 3-Formylbenzonitrile #, AC1Q4RGP, AC1Q6PSI, AC1Q6PSJ, AC1L3KH3, 3-Formylbenzonitrile, 98%, ACMC-1CQ91, SCHEMBL67236, KSC490M4P, Jsp004967, CTK3J0647, DTXSID30179677, ZINC165270, ALBB-017979, STR02286, ANW-25584, BBL013938, CL8319, SBB063181, STL163410, AKOS000121154, AC-1102, AS02989, CS-W007808, LS11367, MCULE-2088925336, PS-4629, RTR-011444, TRA0005279, KS-00000B05, AJ-16372, AK-41581, AN-15260, BC206261, BR-41581, CJ-02273, L522, SC-02871, SY009078, ZB008448, AB0014751, DB-046591, TL8002036, TR-011444, AM20060030, FT-0615551, ST24032622, ST51037564, EN300-25513, MFCD00003344 (98%), 3-Cyanobenzaldyhyde / benzonitrile, 3-formyl-, M-3434, 964C645, I01-0726, J-650281, F2124-0232, InChI=1/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6, 1-(Methylsulfonyl)proline, C8H5NO, cc-675, C8-H5-N-O, CID90670, AR-1F2822, c0429, ZINC00165270, 3-Cyanobenzaldehyde, 98% - 1G 1g, 25462-28-6, 620-23-5,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.037g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.134g/mol
Monoisotopic Mass	131.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number