7-Oxabicyclo[4.1.0]heptane, 1-methyl-

7-Oxabicyclo[4.1.0]heptane, 1-methyl-
Compound Structure:
Synonyms: 1,2-Epoxy-1-methylcyclohexane;1713-33-3;1-Methyl-7-oxabicyclo[4.1.0]heptane;1-Methyl-1,2-epoxycyclohexane;1-Methylcyclohexene oxide;1-Methylepoxycyclohexane;1-Methylcyclohexene epoxide
Compound ID: NMPC-495
PubChem ID:

224243
Molecular Formula: C7H12O
Canonical SMILES: CC12CCCCC1O2
InChIKey: FIEKVYPYFQSFTP-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties


Property Name

Property Value

Molecular Weight

112.17 g/mol

XLogP3-AA

1.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

112.088815002 g/mol

Monoisotopic Mass

112.088815002 g/mol

Topological Polar Surface Area

12.5Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

111

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: Terminalia superba
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