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3,3-dimethylhexan-2-one

3,3-dimethylhexan-2-one structure

CAS No:
26118-38-7
Formula:
C8H16O
Chemical Name:
3,3-dimethylhexan-2-one
Synonyms:
3,3-DIMETHYL-2-HEXANONE;3,3-dimethylhexan-2-one;26118-38-7;2-Hexanone, 3,3-dimethyl-;3,3-dimethyl-hexan-2-one;3,3-Dimethyl-2-hexanone #;SCHEMBL859738;DTXSID20180752;ZINC2013141;MFCD11553493;AKOS006324321

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3,3-dimethylhexan-2-one Basic Attributes

Molecular Weight：

128.21 g/mol

Exact Mass：

128.120115130 g/mol

DSSTox ID：

DTXSID20180752

Characteristics

PSA：

17.1 Å²

Boiling Point：

149.0 °C

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-dimethylhexan-2-one

Basic Attributes
Characteristics
Computed Properties

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