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827608-96-8 | 1,3-Dioxolane, 2,2,4-trimethyl-5-(2-phenylethyl)-
CAS No: 827608-96-8 Catalog No: AG004YST MDL No:
Product Description
Catalog Number:
AG004YST
Chemical Name:
1,3-Dioxolane, 2,2,4-trimethyl-5-(2-phenylethyl)-
CAS Number:
827608-96-8
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2,2,4-trimethyl-5-(2-phenylethyl)-1,3-dioxolane
InChI:
InChI=1S/C14H20O2/c1-11-13(16-14(2,3)15-11)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChI Key:
KUFNRHHBYQEPTD-UHFFFAOYSA-N
SMILES:
CC1OC(OC1CCc1ccccc1)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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