AG00IBFS

65031-96-1 | Butanoic acid, (2S)-oxiranylmethyl ester

AG00IBFS

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CAS Number	65031-96-1
Catalog Number	AG00IBFS(AGN-PC-0OF17X)
Chemical Name	Butanoic acid, (2S)-oxiranylmethyl ester
IUPAC Name	[(2S)-oxiran-2-yl]methyl butanoate
InChI	InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m0/s1
InChI Key	YLNSNVGRSIOCEU-LURJTMIESA-N
MDL Number	MFCD00273369
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	[H]C1(OC1)(COC(=O)CCC)
Synonyms	(s)-Glycidyl Butyrate, 65031-96-1, (S)-(+)-Glycidyl butyrate, (S)-Oxiran-2-ylmethyl butyrate, [(2S)-oxiran-2-yl]methyl butanoate, Butanoic acid, (2S)-oxiranylmethyl ester, S-Glycidyl butanoate, PubChem5837, AC1OE5OX, SCHEMBL78536, CTK2F2826, (S)-2-(Butyryloxymethyl)oxirane, Butyric Acid (S)-Glycidyl Ester, DTXSID30426451, YLNSNVGRSIOCEU-LURJTMIESA-N, ACT02373, ZINC2036146, ANW-34977, MFCD00273369, (S)-(+)-Glycidyl butyrate, 98%, AKOS005259912, AKOS015892752, FCH3639366, RP17336, BR-44051, CC-01463, SC-06066, Butanoic acid (2s)-2-oxiranylmethyl ester, TL8004614, TR-037395, FT-0602424, G0283, M-3275, 031G961, C-02312, (S)-(+)-1-Chloro-2,3-epoxypropane ; 2-(Chloromethyl)oxirane, - -Glycidylbutyrate, (R)-Glycidyl butyrate, (S)-(+)-Epichlorohydrin, C7H12O3, NSC83144, (S)-4-Chloro-3-hydroxybutyronitrile, CB11269, CB11348, CID6999819, (S)-( )-Glycidyl butyrate, 98% - 1G 1g, (S)-( )-Glycidyl butyrate, 97% - 20G 20g, 67843-74-7, 60456-26-0,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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