AG003574

76469-88-0 | Methyl 4-(cyanomethyl)benzoate

AG003574

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CAS Number	76469-88-0
Catalog Number	AG003574(AGN-PC-0JWZ2C)
Chemical Name	Methyl 4-(cyanomethyl)benzoate
EC Number	616-338-2
IUPAC Name	methyl 4-(cyanomethyl)benzoate
InChI	InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3
InChI Key	XRZGMNGGCZTNGE-UHFFFAOYSA-N
MDL Number	MFCD00060695
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(#N)CC1=CC=C(C(=O)OC)C=C1
Synonyms	Methyl 4-(cyanomethyl)benzoate, 76469-88-0, 4-Cyanomethylbenzoic acid methyl ester, Methyl 4-Cyanomethylbenzoate, 4-(Cyanomethyl)benzoic Acid Methyl Ester, METHYL4-(CYANOMETHYL)BENZOATE, Benzoic acid, 4-(cyanomethyl)-, methyl ester, PubChem13649, ACMC-1BLMT, Methyl |A-Cyano-p-toluate, methyl p-cyanomethylbenzoate, AC1LI40N, SCHEMBL378575, Methyl p-(Cyanomethyl)benzoate, AC1Q438D, CTK3J3825, DTXSID00357248, 4-(carbomethoxy)phenylacetonitrile, XRZGMNGGCZTNGE-UHFFFAOYSA-N, ZINC382904, ACT01030, KS-00000G6X, ANW-47131, BBL103202, CM-400, MFCD00060695, SBB068770, STL557012, AKOS001430834, Methyl 4-(cyanomethyl)benzoate, 96%, [p-(Methoxycarbonyl)phenyl]acetonitrile, CS-W007933, MCULE-9759653095, QC-1578, TRA0089551, VZ32623, 4-cyanomethyl benzoic acid methyl ester, 4-cyanomethyl-benzoic acid methyl ester, 4-cyanomethylbenzoic acid, methyl ester, AC-25706, AJ-20359, AK-45258, AN-36880, AS-15415, BR-45258, P244, SC-28875, ZB011214, AB0016894, DB-056066, RT-001735, ST2407232, AM20041135, Benzoic acid,4-(cyanomethyl)-, methyl ester, FT-0618303, M2341, EN300-29522, 69M880, A24724, S-6258, J-650115, S01-0183, Z285139090, Methyl4- benzoate, 4-(cyanomethyl)benzoate, C10H9NO2, Methyl 4-(Cyanomethyl) Benzoate, CID848548, |A-Cyano-p-toluic Acid Methyl Ester, 57-12-5,

Complexity	220
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

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

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