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100446-13-7 | 1H-Inden-1-one, 2,3-dihydro-5,6-bis(phenylmethoxy)-
CAS No: 100446-13-7 Catalog No: AG000208 MDL No:
Product Description
Catalog Number:
AG000208
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-bis(phenylmethoxy)-
CAS Number:
100446-13-7
Molecular Formula:
C23H20O3
Molecular Weight:
344.4031
IUPAC Name:
5,6-bis(phenylmethoxy)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C23H20O3/c24-21-12-11-19-13-22(25-15-17-7-3-1-4-8-17)23(14-20(19)21)26-16-18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2
InChI Key:
KIQIKVHMHQMPEQ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(OCc1ccccc1)c(c2)OCc1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.141g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.41g/mol
Monoisotopic Mass:
344.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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