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144233-31-8 | Methanone, 1,4-phenylenebis[9H-xanthen-3-yl- (9CI)
CAS No: 144233-31-8 Catalog No: AG001J5C MDL No:
Product Description
Catalog Number:
AG001J5C
Chemical Name:
Methanone, 1,4-phenylenebis[9H-xanthen-3-yl- (9CI)
CAS Number:
144233-31-8
Molecular Formula:
C34H22O4
Molecular Weight:
494.5361
IUPAC Name:
[4-(9H-xanthene-3-carbonyl)phenyl]-(9H-xanthen-3-yl)methanone
InChI:
InChI=1S/C34H22O4/c35-33(27-15-13-25-17-23-5-1-3-7-29(23)37-31(25)19-27)21-9-11-22(12-10-21)34(36)28-16-14-26-18-24-6-2-4-8-30(24)38-32(26)20-28/h1-16,19-20H,17-18H2
InChI Key:
CTLLKIPBLVVFRS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)Oc1c(C2)cccc1)c1ccc(cc1)C(=O)c1ccc2c(c1)Oc1c(C2)cccc1
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.152g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.546g/mol
Monoisotopic Mass:
494.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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