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2,4-dimethylhexan-3-one

2,4-dimethylhexan-3-one structure

CAS No:
18641-70-8
Formula:
C8H16O
Chemical Name:
2,4-dimethylhexan-3-one
Synonyms:
2,4-Dimethyl-3-hexanone;2,4-dimethylhexan-3-one;18641-70-8;3-Hexanone, 2,4-dimethyl-;2,4-Dimethyl hexanone-3;SCHEMBL269836;DTXSID70940080;AKOS013029676;MCULE-5036699104;DB-044598;FT-0637729
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,4-dimethylhexan-3-one Basic Attributes

Molecular Weight：

128.21 g/mol

Exact Mass：

128.120115130 g/mol

Characteristics

PSA：

17.1 Å²

Computed Properties

Molecular Weight:128.21
XLogP3:2.4
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:94.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes