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182819-84-7 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-[(1E)-2-phenylethenyl]-
CAS No: 182819-84-7 Catalog No: AG00245P MDL No:
Product Description
Catalog Number:
AG00245P
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-2-[(1E)-2-phenylethenyl]-
CAS Number:
182819-84-7
Molecular Formula:
C17H12O3
Molecular Weight:
264.2754
IUPAC Name:
3-hydroxy-2-(2-phenylethenyl)chromen-4-one
InChI:
InChI=1S/C17H12O3/c18-16-13-8-4-5-9-14(13)20-15(17(16)19)11-10-12-6-2-1-3-7-12/h1-11,19H
InChI Key:
FVCHDTCZUBXONT-UHFFFAOYSA-N
SMILES:
O=c1c(O)c(/C=C/c2ccccc2)oc2c1cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.28g/mol
Monoisotopic Mass:
264.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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