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10139-61-4 | 1(3H)-Isobenzofuranone, 3,3-bis(phenylmethyl)-
CAS No: 10139-61-4 Catalog No: AG0004DK MDL No:
Product Description
Catalog Number:
AG0004DK
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(phenylmethyl)-
CAS Number:
10139-61-4
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
3,3-dibenzyl-2-benzofuran-1-one
InChI:
InChI=1S/C22H18O2/c23-21-19-13-7-8-14-20(19)22(24-21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChI Key:
FANDOQBFFGRVRW-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.384g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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