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15547-89-4 | Cyclohexanone, 2-(3-methoxyphenyl)-
CAS No: 15547-89-4 Catalog No: AG001NXY MDL No:
Product Description
Catalog Number:
AG001NXY
Chemical Name:
Cyclohexanone, 2-(3-methoxyphenyl)-
CAS Number:
15547-89-4
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-(3-methoxyphenyl)cyclohexan-1-one
InChI:
InChI=1S/C13H16O2/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h4-6,9,12H,2-3,7-8H2,1H3
InChI Key:
KACQSVYTBQDRGP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1CCCCC1=O
EC Number:
239-602-5
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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