CAS 13211-15-9 | Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl- | CAS Number 13211-15-9

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13211-15-9 | Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-

CAS No: 13211-15-9 Catalog No: AG00108A MDL No:MFCD00046297

Product Description

Catalog Number:

AG00108A

Chemical Name:

Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-

CAS Number:

13211-15-9

Molecular Formula:

C9H14O

Molecular Weight:

138.2069

MDL Number:

MFCD00046297

IUPAC Name:

3,3-dimethylbicyclo[2.2.1]heptan-2-one

InChI:

InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3

InChI Key:

ZYPYEBYNXWUCEA-UHFFFAOYSA-N

SMILES:

O=C1C2CCC(C1(C)C)C2

EC Number:

236-179-9

NSC Number:

176900

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.21g/mol

Monoisotopic Mass:

138.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Thermochemical analysis and kinetics aspects for a chemical model for camphene ozonolysis.	The Journal of chemical physics 20121007
Variation of chemical composition of essential oils in wild populations of Thymus algeriensis Boiss. et Reut., a North African endemic species.	Lipids in health and disease 20120101