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116470-07-6 | 2-Propen-1-one, 1-(3-acetyl-2,4-dihydroxyphenyl)-3-phenyl-
CAS No: 116470-07-6 Catalog No: AG000CKS MDL No:
Product Description
Catalog Number:
AG000CKS
Chemical Name:
2-Propen-1-one, 1-(3-acetyl-2,4-dihydroxyphenyl)-3-phenyl-
CAS Number:
116470-07-6
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
1-(3-acetyl-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H14O4/c1-11(18)16-15(20)10-8-13(17(16)21)14(19)9-7-12-5-3-2-4-6-12/h2-10,20-21H,1H3
InChI Key:
GCCNWGANINQTFD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1O)C(=O)C)O)C=Cc1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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