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85366-46-7 | 3-(1,3-DIOXOLAN-2-YL)BENZOPHENONE
CAS No: 85366-46-7 Catalog No: AG004U20 MDL No:
Product Description
Catalog Number:
AG004U20
Chemical Name:
3-(1,3-DIOXOLAN-2-YL)BENZOPHENONE
CAS Number:
85366-46-7
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
InChI:
InChI=1S/C16H14O3/c17-15(12-5-2-1-3-6-12)13-7-4-8-14(11-13)16-18-9-10-19-16/h1-8,11,16H,9-10H2
InChI Key:
NZPRGYBCSLSUOM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C1OCCO1)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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