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Home > Other Heterocycles > 74411-00-0
74411-00-0 | Spiro[4.5]deca-6,9-dien-8-one, 6,10-dimethyl-
CAS No: 74411-00-0 Catalog No: AG005LNF MDL No:MFCD02949032
Product Description
Catalog Number:
AG005LNF
Chemical Name:
Spiro[4.5]deca-6,9-dien-8-one, 6,10-dimethyl-
CAS Number:
74411-00-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD02949032
IUPAC Name:
6,10-dimethylspiro[4.5]deca-6,9-dien-8-one
InChI:
InChI=1S/C12H16O/c1-9-7-11(13)8-10(2)12(9)5-3-4-6-12/h7-8H,3-6H2,1-2H3
InChI Key:
QTADBMSXXCEHSF-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C=C(C21CCCC2)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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