AG00I9R4

5459-58-5 | Acetic acid, cyano-, butyl ester

AG00I9R4

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COA

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CAS Number	5459-58-5
Catalog Number	AG00I9R4(AGN-PC-0JLS3F)
Chemical Name	Acetic acid, cyano-, butyl ester
EC Number	226-730-1
IUPAC Name	butyl 2-cyanoacetate
InChI	InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
InChI Key	DJACTCNGCHPGOI-UHFFFAOYSA-N
MDL Number	MFCD00001941
Molecular Formula	C7H11NO2
Molecular Weight	141.1677
NSC Number	24260
SMILES	O=C(OCCCC)CC#N
UNII	F9H6L20VOH
Synonyms	Butyl cyanoacetate, n-Butyl cyanoacetate, butyl 2-cyanoacetate, 5459-58-5, Acetic acid, cyano-, butyl ester, UNII-F9H6L20VOH, Cyanoacetic Acid Butyl Ester, Cyanoacetic acid n-butyl ester, EINECS 226-730-1, Acetic acid, 2-cyano-, butyl ester, BRN 1761735, F9H6L20VOH, DJACTCNGCHPGOI-UHFFFAOYSA-N, butyl 2-cyanoethanoate, ACMC-209lho, Butyl cyanoacetate, 95%, EC 226-730-1, AC1L2XO9, DSSTox_CID_24439, DSSTox_RID_80229, DSSTox_GSID_44439, KSC601Q4H, SCHEMBL317392, 2-cyanoacetic acid butyl ester, CHEMBL3186378, DTXSID1044439, CTK5A1843, KS-00000GRS, Acetic acid, 2-cyano-,butyl ester, NSC24260, ZINC1609011, Tox21_302126, ANW-32122, MFCD00001941, NSC-24260, SBB068301, AKOS009031192, FS-4205, RL04043, NCGC00255746-01, AJ-28190, CJ-05751, CJ-25984, LS-11490, CAS-5459-58-5, RT-004146, FT-0658092, ST24030221, A830258, Butyl cyanoacetate, Lonza quality, >=99.0% (GC), I14-5901, W-105614, Acetic acid, butyl ester, C7H11NO2, Dimethyl 2,2'-dithiobisbenzoate, C7-H11-N-O2, CID79571, c0440, Butyl cyanoacetate, 99% - 100G 100g, 4-02-00-01891 (Beilstein Handbook Reference),

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.17g/mol
Monoisotopic Mass	141.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number