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121587-66-4 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-8-(2-propen-1-yl)-
CAS No: 121587-66-4 Catalog No: AG0015CA MDL No:
Product Description
Catalog Number:
AG0015CA
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-8-(2-propen-1-yl)-
CAS Number:
121587-66-4
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
7-hydroxy-3-phenyl-8-prop-2-enylchromen-4-one
InChI:
InChI=1S/C18H14O3/c1-2-6-13-16(19)10-9-14-17(20)15(11-21-18(13)14)12-7-4-3-5-8-12/h2-5,7-11,19H,1,6H2
InChI Key:
KPHOKPLVFNTRLV-UHFFFAOYSA-N
SMILES:
C=CCc1c(O)ccc2c1occ(c2=O)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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