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123558-09-8 | 4-Cycloocten-1-one, 8-(4-methoxyphenyl)-
CAS No: 123558-09-8 Catalog No: AG000KSU MDL No:
Product Description
Catalog Number:
AG000KSU
Chemical Name:
4-Cycloocten-1-one, 8-(4-methoxyphenyl)-
CAS Number:
123558-09-8
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
8-(4-methoxyphenyl)cyclooct-4-en-1-one
InChI:
InChI=1S/C15H18O2/c1-17-13-10-8-12(9-11-13)14-6-4-2-3-5-7-15(14)16/h2-3,8-11,14H,4-7H2,1H3
InChI Key:
QAYVRRRSOWOIMN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCC=CCCC1=O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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