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Home > Other Heterocycles > 89201-95-6
89201-95-6 | Bicyclo[11.3.1]heptadeca-1(17),13,15-trien-2-one
CAS No: 89201-95-6 Catalog No: AG0046BD MDL No:
Product Description
Catalog Number:
AG0046BD
Chemical Name:
Bicyclo[11.3.1]heptadeca-1(17),13,15-trien-2-one
CAS Number:
89201-95-6
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
IUPAC Name:
bicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-2-one
InChI:
InChI=1S/C17H24O/c18-17-13-8-6-4-2-1-3-5-7-10-15-11-9-12-16(17)14-15/h9,11-12,14H,1-8,10,13H2
InChI Key:
BUPMUVCWLSHMKP-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCc2cc1ccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.378g/mol
Monoisotopic Mass:
244.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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