AG0036MT

68432-92-8 | Methyl 3-(cyanomethyl)benzoate

AG0036MT

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	68432-92-8
Catalog Number	AG0036MT(AGN-PC-0NB4LJ)
Chemical Name	Methyl 3-(cyanomethyl)benzoate
IUPAC Name	methyl 3-(cyanomethyl)benzoate
InChI	InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3
InChI Key	XSNUGLQVCGENEM-UHFFFAOYSA-N
MDL Number	MFCD07783720
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(#N)CC=1C=C(C(=O)OC)C=CC1
Synonyms	Methyl 3-(cyanomethyl)benzoate, 68432-92-8, methyl 3-(cyanomethyl) benzoate, 3-cyanomethylbenzoic acid methyl ester, 3-(Cyanomethyl)benzoic acid methyl ester, XSNUGLQVCGENEM-UHFFFAOYSA-N, 3-cyanomethyl-benzoic acid methyl ester, Benzoicacid, 3-(cyanomethyl)-, methyl ester, Benzoic acid, 3-(cyanomethyl)-, methyl ester, Methyl(3-cyanomethyl)benzoate, methyl3-(cyanomethyl)benzoate, PubChem24405, methyl 3-cyanomethylbenzoate, methyl-3-cyanomethylbenzoate, Methyl,3-Cyanomethylbenzoate, SCHEMBL40562, Methyl 3-cyanomethyl-benzoate, Methyl (3-cyanomethyl)benzoate, methyl-3-(cyanomethyl)benzoate, CTK8B5570, KS-00000JMC, DTXSID40445310, (3-methoxycarbonylphenyl)acetonitrile, ANW-49170, CM-649, MFCD07783720, SBB027175, STL433099, ZINC20216315, 3-(Methoxycarbonyl)benzeneacetonitrile, AKOS005259858, GS-3360, MCULE-5059720810, VZ32577, AJ-76316, AK-46078, AN-15667, BC219853, BR-46078, CJ-16567, P498, SC-53990, 3-(Cyanomethyl)-benzoic acid methyl ester, AB0017044, AB1011777, ST4150460, TR-022875, A9112, AM20050408, FT-0682405, ST24025266, M-2713, 432M928, I01-13063, null, C10H9NO2, CB11039, CID10821136,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number