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3-Hydroxy-3-methylvalericacidethylester

3-Hydroxy-3-methylvalericacidethylester structure

CAS No:
31033-23-5
Formula:
C8H16O3
Chemical Name:
3-Hydroxy-3-methylvalericacidethylester
Synonyms:
3-Hydroxy-3-methylvaleric acid ethyl ester;Pentanoic acid, 3-hydroxy-3-methyl-, ethyl ester

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3-Hydroxy-3-methylvalericacidethylester Basic Attributes

Molecular Weight：

160.21

Exact Mass：

160.109944368

Characteristics

PSA：

46.53000

XLogP3：

1.10060

Density：

0.999 g/cm3

Melting Point：

103-104.5 °C

Boiling Point：

88-100 °C(Press: 19 Torr)

PKA：

14.52±0.29

Computed Properties

Molecular Weight:160.21
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:160.109944368
Monoisotopic Mass:160.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:133
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Hydroxy-3-methylvalericacidethylester

Basic Attributes
Characteristics
Computed Properties

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