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88681-13-4 | 2-Propen-1-one, 3-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-
CAS No: 88681-13-4 Catalog No: AG00479J MDL No:
Product Description
Catalog Number:
AG00479J
Chemical Name:
2-Propen-1-one, 3-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-
CAS Number:
88681-13-4
Molecular Formula:
C22H18O3
Molecular Weight:
330.3765
IUPAC Name:
3-(4-methoxyphenyl)-1-(4-phenoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H18O3/c1-24-19-12-7-17(8-13-19)9-16-22(23)18-10-14-21(15-11-18)25-20-5-3-2-4-6-20/h2-16H,1H3
InChI Key:
PRYAKEKSGPEJRV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.383g/mol
Monoisotopic Mass:
330.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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