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116515-60-7 | Naphtho[2,3-c]furan-1(3H)-one, 4-hydroxy-9-phenyl-
CAS No: 116515-60-7 Catalog No: AG000CNS MDL No:
Product Description
Catalog Number:
AG000CNS
Chemical Name:
Naphtho[2,3-c]furan-1(3H)-one, 4-hydroxy-9-phenyl-
CAS Number:
116515-60-7
Molecular Formula:
C18H12O3
Molecular Weight:
276.2861
IUPAC Name:
4-hydroxy-9-phenyl-3H-benzo[f][2]benzofuran-1-one
InChI:
InChI=1S/C18H12O3/c19-17-13-9-5-4-8-12(13)15(11-6-2-1-3-7-11)16-14(17)10-21-18(16)20/h1-9,19H,10H2
InChI Key:
QZZNUIUXPBCKQJ-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c(c1ccccc1)c1c(c2O)cccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.291g/mol
Monoisotopic Mass:
276.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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