2,4-Deimethyl-1,3-Cyclopentanedione

2,4-Deimethyl-1,3-Cyclopentanedione
Compound Structure:
Synonyms: 2,4-Dimethyl-1,3-cyclopentanedione;2,4-dimethylcyclopentane-1,3-dione;34598-80-6;1,3-Cyclopentanedione, 2,4-dimethyl-;2,4-Dimethyl-1,3-cyclopentadion;2,4-dimethyl-cyclopentane-1,3-dione
Compound ID: NMPC-174
PubChem ID:

580975
Molecular Formula: C7H10O2
Canonical SMILES: CC1CC(=O)C(C1=O)C
InChIKey: FCELWXAACZZLJY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

126.15 g/mol

XLogP3-AA

0.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

126.068079557 g/mol

Monoisotopic Mass

126.068079557 g/mol

Topological Polar Surface Area

34.1Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

160

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Monodora myristica
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