AG001OW3

15666-97-4 | Acetic acid, 2-cyano-, octyl ester

AG001OW3

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CAS Number	15666-97-4
Catalog Number	AG001OW3(AGN-PC-0LA74K)
Chemical Name	Acetic acid, 2-cyano-, octyl ester
IUPAC Name	octyl 2-cyanoacetate
InChI	InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3
InChI Key	MBCTWXWDQMXVDF-UHFFFAOYSA-N
MDL Number	MFCD00075425
Molecular Formula	C11H19NO2
Molecular Weight	197.2741
SMILES	O=C(OCCCCCCCC)CC#N
Synonyms	Octyl 2-cyanoacetate, 15666-97-4, Octyl cyanoacetate, n-Octyl cyanoacetate, octylcyanoacetate, Acetic acid, cyano-, octyl ester, MBCTWXWDQMXVDF-UHFFFAOYSA-N, AK161756, octyl2-cyanoacetate, octyl 2-cyanoethanoate, AC1N9EXJ, Octyl cyanoacetate, 99%, Cyanoacetic acid, octyl ester, SCHEMBL634649, 2-cyanoacetic acid octyl ester, CTK4C9143, KS-00000XAV, DTXSID30402694, Acetic acid, 2-cyano-,octyl ester, BCP12781, ZINC2545368, Acetic acid, 2-cyano-, octyl ester, MFCD00075425, AKOS015843130, RL02018, AS-19997, AX8145329, TC-020150, FT-0659706, ST24048834, Z3357, A809762, I14-5883, J-009330, Cyanoacetic Acid Octyl Ester, C11H19NO2, ACN-051883, CID4384482, n-Octyl cyanoacetate, 99% - 100G 100g,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.142g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.278g/mol
Monoisotopic Mass	197.142g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

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