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116360-19-1 | 1(3H)-Isobenzofuranone, 3,3-bis(2-hydroxy-1-naphthalenyl)-
CAS No: 116360-19-1 Catalog No: AG000CA1 MDL No:
Product Description
Catalog Number:
AG000CA1
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(2-hydroxy-1-naphthalenyl)-
CAS Number:
116360-19-1
Molecular Formula:
C28H18O4
Molecular Weight:
418.4401
IUPAC Name:
3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
InChI:
InChI=1S/C28H18O4/c29-23-15-13-17-7-1-3-9-19(17)25(23)28(22-12-6-5-11-21(22)27(31)32-28)26-20-10-4-2-8-18(20)14-16-24(26)30/h1-16,29-30H
InChI Key:
ZNBPCRYZAKWLEK-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(c1c(O)ccc2c1cccc2)c1c(O)ccc2c1cccc2
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.121g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.448g/mol
Monoisotopic Mass:
418.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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