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Home > Other Heterocycles > 80359-35-9
80359-35-9 | Spiro[4.5]deca-3,6-dien-2-one, 6,9,9-trimethyl-
CAS No: 80359-35-9 Catalog No: AG005BHA MDL No:
Product Description
Catalog Number:
AG005BHA
Chemical Name:
Spiro[4.5]deca-3,6-dien-2-one, 6,9,9-trimethyl-
CAS Number:
80359-35-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
7,7,10-trimethylspiro[4.5]deca-3,9-dien-2-one
InChI:
InChI=1S/C13H18O/c1-10-4-6-12(2,3)9-13(10)7-5-11(14)8-13/h4-5,7H,6,8-9H2,1-3H3
InChI Key:
GEKQPXUUDRQJGD-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C1)CC(C)(C)CC=C2C
Properties
Complexity:
333
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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