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89114-53-4 | 2-Cyclohexen-1-one, 2-methoxy-3-(4-methoxyphenyl)-
CAS No: 89114-53-4 Catalog No: AG003YZW MDL No:
Product Description
Catalog Number:
AG003YZW
Chemical Name:
2-Cyclohexen-1-one, 2-methoxy-3-(4-methoxyphenyl)-
CAS Number:
89114-53-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
2-methoxy-3-(4-methoxyphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H16O3/c1-16-11-8-6-10(7-9-11)12-4-3-5-13(15)14(12)17-2/h6-9H,3-5H2,1-2H3
InChI Key:
ONHLENOOECCFSA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(OC)C(=O)CCC1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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