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114564-42-0 | 1,3-Dioxol-2-one, 4-phenyl-5-(phenylmethyl)-
CAS No: 114564-42-0 Catalog No: AG000EP3 MDL No:
Product Description
Catalog Number:
AG000EP3
Chemical Name:
1,3-Dioxol-2-one, 4-phenyl-5-(phenylmethyl)-
CAS Number:
114564-42-0
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
4-benzyl-5-phenyl-1,3-dioxol-2-one
InChI:
InChI=1S/C16H12O3/c17-16-18-14(11-12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
KEOMSZHQAOYWPD-UHFFFAOYSA-N
SMILES:
O=c1oc(c(o1)Cc1ccccc1)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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