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136962-24-8 | 1,3-Dioxolan-4-one, 2,2-dimethyl-5-phenyl-5-(phenylmethyl)-
CAS No: 136962-24-8 Catalog No: AG0012MK MDL No:
Product Description
Catalog Number:
AG0012MK
Chemical Name:
1,3-Dioxolan-4-one, 2,2-dimethyl-5-phenyl-5-(phenylmethyl)-
CAS Number:
136962-24-8
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
5-benzyl-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C18H18O3/c1-17(2)20-16(19)18(21-17,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3
InChI Key:
HBHJFTUGYZNBBR-UHFFFAOYSA-N
SMILES:
O=C1OC(OC1(Cc1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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