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89231-30-1 | 2-Cyclohexen-1-one, 2-ethyl-3-(methoxyphenyl)-
CAS No: 89231-30-1 Catalog No: AG0043DT MDL No:
Product Description
Catalog Number:
AG0043DT
Chemical Name:
2-Cyclohexen-1-one, 2-ethyl-3-(methoxyphenyl)-
CAS Number:
89231-30-1
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
2-ethyl-3-(2-methoxyphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C15H18O2/c1-3-11-12(8-6-9-14(11)16)13-7-4-5-10-15(13)17-2/h4-5,7,10H,3,6,8-9H2,1-2H3
InChI Key:
JZPXFRWPEPTBSW-UHFFFAOYSA-N
SMILES:
CCC1=C(CCCC1=O)c1ccccc1OC
Properties
Complexity:
317
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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