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Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester

Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester structure

CAS No:
2522-81-8
Formula:
C13H16O3
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester
Synonyms:
Propanoic acid,2,2-dimethyl-,2-oxo-2-phenylethyl ester;Pivalic acid,ester with 2-hydroxyacetophenone;Pivalic acid,phenacyl ester;Benzoylcarbinyl trimethylacetate;Phenacyl pivalate;Pibecarb;BCTA;Benzoylcarbinol trimethylacetate;2-Oxo-2-phenylethyl 2,2-dimethylpropanoate

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Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester Basic Attributes

Molecular Weight：

220.268

Exact Mass：

220.26

EC Number：

219-749-1

UNII：

MOA3SO592J

DSSTox ID：

DTXSID00179881

HScode：

2915900090

Characteristics

PSA：

43.4

XLogP3：

2.45860

Density：

1.063g/cm3

Melting Point：

59-60 °C

Boiling Point：

306.9ºC at 760mmHg

Flash Point：

131.5ºC

Refractive Index：

1.502

Toxicity：

LD50 ipr-rat: 2600 mg/kg GNRIDX 4,1,70

Computed Properties

Molecular Weight:220.26
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester

Basic Attributes
Characteristics
Computed Properties
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Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester

SDS

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