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Home > Other Heterocycles > 89237-56-9
89237-56-9 | Spiro[4.5]dec-3-en-2-one, 3,4-dimethyl-
CAS No: 89237-56-9 Catalog No: AG0043AI MDL No:MFCD24696382
Product Description
Catalog Number:
AG0043AI
Chemical Name:
Spiro[4.5]dec-3-en-2-one, 3,4-dimethyl-
CAS Number:
89237-56-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD24696382
IUPAC Name:
3,4-dimethylspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C12H18O/c1-9-10(2)12(8-11(9)13)6-4-3-5-7-12/h3-8H2,1-2H3
InChI Key:
RCYCULPJBFWTEH-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=C1C)C)CCCCC2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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