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39117-89-0 | 1-Oxaspiro[2.5]octa-5,7-dien-4-one, 5,7-bis(1,1-dimethylethyl)-
CAS No: 39117-89-0 Catalog No: AG0076IL MDL No:
Product Description
Catalog Number:
AG0076IL
Chemical Name:
1-Oxaspiro[2.5]octa-5,7-dien-4-one, 5,7-bis(1,1-dimethylethyl)-
CAS Number:
39117-89-0
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
5,7-ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
InChI:
InChI=1S/C15H22O2/c1-13(2,3)10-7-11(14(4,5)6)12(16)15(8-10)9-17-15/h7-8H,9H2,1-6H3
InChI Key:
BDBAWMGOWUSJRY-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=CC21CO2)C(C)(C)C)C(C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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