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89444-38-2 | 1,2-Dioxolane, 3-methyl-3-(3-methylbutyl)-5-phenyl-
CAS No: 89444-38-2 Catalog No: AG0043F7 MDL No:
Product Description
Catalog Number:
AG0043F7
Chemical Name:
1,2-Dioxolane, 3-methyl-3-(3-methylbutyl)-5-phenyl-
CAS Number:
89444-38-2
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
3-methyl-3-(3-methylbutyl)-5-phenyldioxolane
InChI:
InChI=1S/C15H22O2/c1-12(2)9-10-15(3)11-14(16-17-15)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChI Key:
DYQKGMROYLRZLL-UHFFFAOYSA-N
SMILES:
CC(CCC1(C)OOC(C1)c1ccccc1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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