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Home > Other Heterocycles > 13747-87-0

13747-87-0

13747-87-0 | Bicyclo[3.2.0]heptan-6-one, 1,5-dimethyl-

CAS No: 13747-87-0 Catalog No: AG0013CB MDL No:

Product Description

Catalog Number:
AG0013CB
Chemical Name:
Bicyclo[3.2.0]heptan-6-one, 1,5-dimethyl-
CAS Number:
13747-87-0
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
1,5-dimethylbicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C9H14O/c1-8-4-3-5-9(8,2)7(10)6-8/h3-6H2,1-2H3
InChI Key:
AVONBUIYVZUQGR-UHFFFAOYSA-N
SMILES:
O=C1CC2(C1(C)CCC2)C

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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