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Home > Other Heterocycles > 85620-40-2
85620-40-2 | Spiro[4.4]nona-2,6-dien-1-one, 3,6-dimethyl-
CAS No: 85620-40-2 Catalog No: AG004Q7N MDL No:
Product Description
Catalog Number:
AG004Q7N
Chemical Name:
Spiro[4.4]nona-2,6-dien-1-one, 3,6-dimethyl-
CAS Number:
85620-40-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
2,9-dimethylspiro[4.4]nona-2,8-dien-4-one
InChI:
InChI=1S/C11H14O/c1-8-6-10(12)11(7-8)5-3-4-9(11)2/h4,6H,3,5,7H2,1-2H3
InChI Key:
GVIULSJTSIXYHG-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C2(C1)CCC=C2C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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