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Home > Other Heterocycles > 97381-39-0
97381-39-0 | 5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-(4-methylphenyl)-
CAS No: 97381-39-0 Catalog No: AG006CHF MDL No:
Product Description
Catalog Number:
AG006CHF
Chemical Name:
5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-(4-methylphenyl)-
CAS Number:
97381-39-0
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
6,6-dimethyl-2-(4-methylphenyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
InChI:
InChI=1S/C15H16O4/c1-9-4-6-10(7-5-9)11-8-15(11)12(16)18-14(2,3)19-13(15)17/h4-7,11H,8H2,1-3H3
InChI Key:
ZNGRXQFSSPVRCE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1CC21C(=O)OC(OC2=O)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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