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246516-38-1 | 1H-Indene-1,3(2H)-dione, 2,2-bis(4-hydroxyphenyl)-
CAS No: 246516-38-1 Catalog No: AG002OYC MDL No:
Product Description
Catalog Number:
AG002OYC
Chemical Name:
1H-Indene-1,3(2H)-dione, 2,2-bis(4-hydroxyphenyl)-
CAS Number:
246516-38-1
Molecular Formula:
C21H14O4
Molecular Weight:
330.3335
IUPAC Name:
2,2-bis(4-hydroxyphenyl)indene-1,3-dione
InChI:
InChI=1S/C21H14O4/c22-15-9-5-13(6-10-15)21(14-7-11-16(23)12-8-14)19(24)17-3-1-2-4-18(17)20(21)25/h1-12,22-23H
InChI Key:
NBRYGVSWVXHPOI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.339g/mol
Monoisotopic Mass:
330.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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