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Home > Other Heterocycles > 83846-53-1
83846-53-1 | Spiro[5.5]undeca-1,8-dien-3-one,7,9-dimethyl-
CAS No: 83846-53-1 Catalog No: AG004VWA MDL No:
Product Description
Catalog Number:
AG004VWA
Chemical Name:
Spiro[5.5]undeca-1,8-dien-3-one,7,9-dimethyl-
CAS Number:
83846-53-1
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
9,11-dimethylspiro[5.5]undeca-4,9-dien-3-one
InChI:
InChI=1S/C13H18O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h4,7,9,11H,3,5-6,8H2,1-2H3
InChI Key:
CZZDWTTUPHCLPO-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C=C1)CCC(=CC2C)C
EC Number:
281-029-8
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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