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116070-57-6 | 1,3-Dioxolane-4-methanol, 2,5-diphenyl-
CAS No: 116070-57-6 Catalog No: AG000BKC MDL No:
Product Description
Catalog Number:
AG000BKC
Chemical Name:
1,3-Dioxolane-4-methanol, 2,5-diphenyl-
CAS Number:
116070-57-6
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
(2,5-diphenyl-1,3-dioxolan-4-yl)methanol
InChI:
InChI=1S/C16H16O3/c17-11-14-15(12-7-3-1-4-8-12)19-16(18-14)13-9-5-2-6-10-13/h1-10,14-17H,11H2
InChI Key:
QEFKHXPXTGMXKR-UHFFFAOYSA-N
SMILES:
OCC1OC(OC1c1ccccc1)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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