9-oxabicyclo[6.1.0] non-6-en-2-one

9-oxabicyclo[6.1.0] non-6-en-2-one
Compound Structure:
Synonyms: 9-Oxabicyclo[6.1.0]non-6-en-2-one
Compound ID: NMPC-538
PubChem ID:

5370128
Molecular Formula: C8H10O2
Canonical SMILES: C1CC=CC2C(O2)C(=O)C1
InChIKey: NQYLXGZWPZIHHW-HYXAFXHYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

138.16 g/mol

XLogP3-AA

0.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

138.068079557 g/mol

Monoisotopic Mass

138.068079557 g/mol

Topological Polar Surface Area

29.6Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

184

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Tamarindus indica
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