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76554-25-1 | 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)-
CAS No: 76554-25-1 Catalog No: AG005KH2 MDL No:
Product Description
Catalog Number:
AG005KH2
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)-
CAS Number:
76554-25-1
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H18O4/c1-12-4-6-13(7-5-12)8-9-15(19)18-16(20)10-14(21-2)11-17(18)22-3/h4-11,20H,1-3H3
InChI Key:
PWVBSDQARMAGHJ-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c(c1)OC)C(=O)C=Cc1ccc(cc1)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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