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28656-32-8 | 2-Propen-1-one, 1-(2-hydroxy-1-naphthalenyl)-3-(4-methoxyphenyl)-
CAS No: 28656-32-8 Catalog No: AG002VZN MDL No:
Product Description
Catalog Number:
AG002VZN
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-1-naphthalenyl)-3-(4-methoxyphenyl)-
CAS Number:
28656-32-8
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
1-(2-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C20H16O3/c1-23-16-10-6-14(7-11-16)8-12-18(21)20-17-5-3-2-4-15(17)9-13-19(20)22/h2-13,22H,1H3
InChI Key:
SWAFUBVKLOPFCL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1c(O)ccc2c1cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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