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heptane-2,5-dione

heptane-2,5-dione structure

CAS No:
1703-51-1
Formula:
C7H12O2
Chemical Name:
heptane-2,5-dione
Synonyms:
2,5-heptanedione;heptane-2,5-dione;2,5-HEPTANEDIONE;1703-51-1;Heptan-2,5-dione;UNII-UP8A88O1MS;UP8A88O1MS;3,6-Heptanedione;2,5-Heptanedione #;SCHEMBL588863;DTXSID7073272;ZINC2039301;8738AA;LMFA12000245;MFCD07437947;AKOS006285115;BS-27512;DB-025782;FT-0707605
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Heptan-2,5-dione is a ketone.

heptane-2,5-dione Basic Attributes

Molecular Weight：

128.17 g/mol

Exact Mass：

128.083729621 g/mol

UNII：

UP8A88O1MS

DSSTox ID：

DTXSID7073272

Characteristics

PSA：

34.1 Å²

Drug Information

MeSH Entry Terms：

2,5-heptanedione

heptane-2,5-dione Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Computed Properties

Molecular Weight:128.17
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes