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189152-24-7

189152-24-7 | Bicyclo[3.3.1]non-6-en-3-one, 7-methoxy-9,9-dimethyl-

CAS No: 189152-24-7 Catalog No: AG002HXT MDL No:

Product Description

Catalog Number:
AG002HXT
Chemical Name:
Bicyclo[3.3.1]non-6-en-3-one, 7-methoxy-9,9-dimethyl-
CAS Number:
189152-24-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
7-methoxy-9,9-dimethylbicyclo[3.3.1]non-6-en-3-one
InChI:
InChI=1S/C12H18O2/c1-12(2)8-4-10(13)5-9(12)7-11(6-8)14-3/h6,8-9H,4-5,7H2,1-3H3
InChI Key:
PCDLUXCBXHOANI-UHFFFAOYSA-N
SMILES:
COC1=CC2C(C(C1)CC(=O)C2)(C)C

Properties

Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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