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Home > Other Heterocycles > 113540-75-3
113540-75-3 | 1-Oxaspiro[4.4]nona-3,6-dien-2-one, 4,7-dimethyl-
CAS No: 113540-75-3 Catalog No: AG0008XT MDL No:
Product Description
Catalog Number:
AG0008XT
Chemical Name:
1-Oxaspiro[4.4]nona-3,6-dien-2-one, 4,7-dimethyl-
CAS Number:
113540-75-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
4,8-dimethyl-1-oxaspiro[4.4]nona-3,8-dien-2-one
InChI:
InChI=1S/C10H12O2/c1-7-3-4-10(6-7)8(2)5-9(11)12-10/h5-6H,3-4H2,1-2H3
InChI Key:
ANSSZUMSCGJCAH-UHFFFAOYSA-N
SMILES:
CC1=CC2(CC1)OC(=O)C=C2C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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