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5-(2,5-DIMETHYLPHENYL)-5-OXOVALERICACID

5-(2,5-DIMETHYLPHENYL)-5-OXOVALERICACID structure

CAS No:
34670-08-1
Formula:
C13H16O3
Chemical Name:
5-(2,5-DIMETHYLPHENYL)-5-OXOVALERICACID
Synonyms:
5-(2,5-DIMETHYLPHENYL)-5-OXOVALERIC ACID;OTAVA-BB 1043535;UKRORGSYN-BB BBV-213465;Benzenepentanoic acid, 2,5-dimethyl-δ-oxo-

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5-(2,5-DIMETHYLPHENYL)-5-OXOVALERICACID Basic Attributes

Molecular Weight：

220.26

Exact Mass：

220.109944368

DSSTox ID：

DTXSID70478378

Characteristics

Density：

1.114±0.06 g/cm3

Melting Point：

72-73 °C

Boiling Point：

170-180 °C(Press: 1 Torr)

PKA：

4.63±0.10

Computed Properties

Molecular Weight:220.26
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(2,5-DIMETHYLPHENYL)-5-OXOVALERICACID

Basic Attributes
Characteristics
Computed Properties

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