AG005H3T

7153-22-2 | Benzoic acid, 4-cyano-,ethyl ester

AG005H3T

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CAS Number	7153-22-2
Catalog Number	AG005H3T(AGN-PC-0JLTCK)
Chemical Name	Benzoic acid, 4-cyano-,ethyl ester
EC Number	230-500-6
IUPAC Name	ethyl 4-cyanobenzoate
InChI	InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
InChI Key	JLSSWDFCYXSLQX-UHFFFAOYSA-N
MDL Number	MFCD00001824
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
NSC Number	62689
SMILES	O=C(OCC)C1=CC=C(C#N)C=C1
Synonyms	Ethyl 4-cyanobenzoate, 7153-22-2, Benzoic acid, 4-cyano-, ethyl ester, Benzoic acid, 4-cyano-,ethyl ester, Ethyl 4-cyanobenzoate, 99%, 4-cyanobenzoic acid ethyl ester, JLSSWDFCYXSLQX-UHFFFAOYSA-N, 4-Cyano-benzoic acid ethyl ester, EINECS 230-500-6, ethyl p-cyanobenzoate, ethyl-4-cyanobenzoate, p-cyano ethyl benzoate, ACMC-209ypo, AC1L31NJ, AC1Q4RD7, SCHEMBL1365179, CTK5D4537, KS-00000JNC, 4-Cyanobenzoic acid, ethyl ester, DTXSID10221769, ZINC404391, EBD45230, NSC62689, ANW-49258, CE-015, CE0073, MFCD00001824, NSC-62689, SBB063744, STK002554, AKOS005374533, CS-W001928, MCULE-4209660333, VZ32140, BENZOIC ACID,4-CYANO,ETHYL ESTER, AJ-22363, AK-76640, BR-76640, CJ-04030, DS-16734, M400, SC-23243, SY005785, ZB013521, AB0015191, DB-055547, TR-023522, 4CH-011218, AM20060933, E1167, FT-0626080, ST24024948, ST50406402, MFCD00001824 (95%), S-1343, 153E222, I01-2786, W-104519, F8881-1838, InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H, Benzoic acid, ethyl ester, C10H9NO2, C10-H9-N-O2, CID81589, AR-1I9218, Ethyl 4-cyanobenzoate, 97.5% - 1G 1g, 3,6-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt, 74311-00-5,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number