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Home > Other Heterocycles > 88700-98-5
88700-98-5 | Bicyclo[3.2.1]oct-3-en-6-one, 3-(4-methoxyphenyl)-
CAS No: 88700-98-5 Catalog No: AG0046EC MDL No:
Product Description
Catalog Number:
AG0046EC
Chemical Name:
Bicyclo[3.2.1]oct-3-en-6-one, 3-(4-methoxyphenyl)-
CAS Number:
88700-98-5
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
3-(4-methoxyphenyl)bicyclo[3.2.1]oct-3-en-6-one
InChI:
InChI=1S/C15H16O2/c1-17-14-4-2-11(3-5-14)12-6-10-7-13(9-12)15(16)8-10/h2-5,9-10,13H,6-8H2,1H3
InChI Key:
PGFOPSVAIJFAPQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=CC2CC(C1)CC2=O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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