N butyl acetate,123-86-4,N butyl acetate,HUTONG GLOBAL CO.,LTD

N butyl acetate

Item : 123-86-4

Details :

Butyl acetate ,N-BUTYL ACETATE,Butyl ethanoate,1-Butyl acetate,n-Butyl ethanoate,Acetic acid, butyl ester,Butylacetaten,Butylacetat,n-Butylacetate,Octan n-butylu, butyl acetate,Canonical SMILES: CCCCOC(=O)C,InChI: InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-
[Synonyms]
Butyl acetate
N-BUTYL ACETATE
Butyl ethanoate
1-Butyl acetate
n-Butyl ethanoate
Acetic acid, butyl ester
Butylacetaten
Butylacetat
n-Butylacetate
Octan n-butylu

[ Properties Computed from Structure]

Molecular Weight	116.15828 [g/mol]
Molecular Formula	C₆H₁₂O₂
XLogP	1.6
H-Bond Donor	0
H-Bond Acceptor	2
Rotatable Bond Count	4
Exact Mass	116.08373
MonoIsotopic Mass	116.08373
Topological Polar Surface Area	26.3
Heavy Atom Count	8
Formal Charge	0
Complexity	68.9
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: butyl acetate
Canonical SMILES: CCCCOC(=O)C
InChI: InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

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