AG003RV3

41126-15-2 | Methyl 4-Cyanobutanoate

AG003RV3

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CAS Number	41126-15-2
Catalog Number	AG003RV3(AGN-PC-00OB45)
Chemical Name	Methyl 4-Cyanobutanoate
IUPAC Name	methyl 4-cyanobutanoate
InChI	InChI=1S/C6H9NO2/c1-9-6(8)4-2-3-5-7/h2-4H2,1H3
InChI Key	UKLXOVLDIFDCED-UHFFFAOYSA-N
MDL Number	MFCD12168338
Molecular Formula	C6H9NO2
Molecular Weight	127.1412
SMILES	O=C(OC)CCCC#N
Synonyms	methyl 4-cyanobutanoate, 41126-15-2, Butanoic acid, 4-cyano-, methyl ester, Methyl4-Cyanobutanoate, methyl 4-cyanobutyrate, Methyl-4-cyano-butanoat, AC1Q442P, SCHEMBL5360417, CTK7D0018, KS-00000BSG, 4-Cyanobutanoic acid methyl ester, UKLXOVLDIFDCED-UHFFFAOYSA-N, 7069AJ, MFCD12168338, ZINC34173917, AKOS009489161, TRA0050902, AS-32614, CJ-18227, DA-06033, SY025759, AB0061632, FT-0739317, EN300-60318, W-4443, MFCD12168338 (97+%), Z1993523176, C6H9NO2,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.143g/mol
Monoisotopic Mass	127.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2810

Certificate of Analysis

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