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114423-85-7 | 2-Cyclopenten-1-one, 3-methoxy-4,5-diphenyl-, trans- (9CI)
CAS No: 114423-85-7 Catalog No: AG000BB6 MDL No:
Product Description
Catalog Number:
AG000BB6
Chemical Name:
2-Cyclopenten-1-one, 3-methoxy-4,5-diphenyl-, trans- (9CI)
CAS Number:
114423-85-7
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
3-methoxy-4,5-diphenylcyclopent-2-en-1-one
InChI:
InChI=1S/C18H16O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12,17-18H,1H3
InChI Key:
NKONIZYSMJJGBG-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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