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88738-20-9 | 3-Furancarboxaldehyde, 4-(hydroxymethyl)-2,5-diphenyl-
CAS No: 88738-20-9 Catalog No: AG004E23 MDL No:
Product Description
Catalog Number:
AG004E23
Chemical Name:
3-Furancarboxaldehyde, 4-(hydroxymethyl)-2,5-diphenyl-
CAS Number:
88738-20-9
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
4-(hydroxymethyl)-2,5-diphenylfuran-3-carbaldehyde
InChI:
InChI=1S/C18H14O3/c19-11-15-16(12-20)18(14-9-5-2-6-10-14)21-17(15)13-7-3-1-4-8-13/h1-11,20H,12H2
InChI Key:
OKTWWGRRQGYFOI-UHFFFAOYSA-N
SMILES:
OCc1c(C=O)c(oc1c1ccccc1)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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