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2,2,5-trimethylhexan-3-one

2,2,5-trimethylhexan-3-one structure

CAS No:
14705-50-1
Formula:
C9H18O
Chemical Name:
2,2,5-trimethylhexan-3-one
Synonyms:
2,2,5-trimethylhexan-3-one;t-Butyl isobutyl ketone;14705-50-1;2,2,5-Trimethyl-3-hexanone;3-Hexanone,2,2,5-trimethyl-;NSC28029;isobutyl-tert.-butylketon;isobutyl tert-butyl ketone;SCHEMBL269050;DTXSID90282797;2,2,5-Trimethyl-3-hexanone #;ZINC1646241;NSC-28029;AKOS010014295;MCULE-5727183448;NE18798;DS-014213;EN300-79066;Z1259339830

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2,2,5-trimethylhexan-3-one Basic Attributes

Molecular Weight：

142.24 g/mol

Exact Mass：

142.135765193 g/mol

NSC Number：

28029

DSSTox ID：

DTXSID90282797

Characteristics

PSA：

17.1 Å²

Computed Properties

Molecular Weight:142.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:142.135765193
Monoisotopic Mass:142.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,5-trimethylhexan-3-one

Basic Attributes
Characteristics
Computed Properties

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