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3,4,4-trimethylpentan-2-one

3,4,4-trimethylpentan-2-one structure

CAS No:
5340-45-4
Formula:
C8H16O
Chemical Name:
3,4,4-trimethylpentan-2-one
Synonyms:
3,4,4-trimethylpentan-2-one;5340-45-4;NSC912;methyl-t-butylacetone;3,4,4-Trimethyl-2-pentanone;SCHEMBL7587650;DTXSID70277121;NSC-912;3,4,-TRIMETHYL-2-PENTANONE;AKOS015784483

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3,4,4-trimethylpentan-2-one Basic Attributes

Molecular Weight：

128.21 g/mol

Exact Mass：

128.120115130 g/mol

NSC Number：

912

DSSTox ID：

DTXSID70277121

Characteristics

PSA：

17.1 Å²

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:108
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,4-trimethylpentan-2-one

Basic Attributes
Characteristics
Computed Properties

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