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3-Phenyl-2-hexanone

3-Phenyl-2-hexanone structure

CAS No:
6306-30-5
Formula:
C12H16O
Chemical Name:
3-Phenyl-2-hexanone
Synonyms:
2-Hexanone,3-phenyl-;3-Phenyl-2-hexanone;NSC 22980

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3-Phenyl-2-hexanone Basic Attributes

Molecular Weight：

176.25 g/mol

Exact Mass：

176.25

NSC Number：

22980

DSSTox ID：

DTXSID10281767

Characteristics

PSA：

17.1 Å²

Density：

0.970 g/cm³ @ Temp: 0 °C

Boiling Point：

235-236 °C

Computed Properties

Molecular Weight:176.25
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:157
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Phenyl-2-hexanone

Basic Attributes
Characteristics
Computed Properties

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