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Propanoicacid,2,2-dimethyl-,butylester

Propanoicacid,2,2-dimethyl-,butylester structure

CAS No:
5129-37-3
Formula:
C9H18O2
Chemical Name:
Propanoicacid,2,2-dimethyl-,butylester
Synonyms:
n-Butyl pivalate;Butyl pivalate;Butyl neopentanoate;Propanoic acid, 2,2-dimethyl-, butyl ester;2,2-Dimethylpropionic acid, buthyl ester;butyl 2,2-dimethylpropanoate;2,2-dimethylpropionic acid n-butyl ester;Pivalic acid butyl ester;butyl-2,2-dimethylpropanoate;SCHEMBL126843

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Propanoicacid,2,2-dimethyl-,butylester Basic Attributes

Molecular Weight：

158.23800

Exact Mass：

158.13100

DSSTox ID：

DTXSID40199285

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

2.37580

Density：

0.876g/cm3

Boiling Point：

164.4ºC at 760 mmHg

Flash Point：

52.1ºC

Refractive Index：

1.417

Computed Properties

Molecular Weight:158.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoicacid,2,2-dimethyl-,butylester

Basic Attributes
Characteristics
Computed Properties

Propanoicacid,2,2-dimethyl-,butylester

SDS

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