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88357-20-4 | 1,3-Dioxolane, 2-methyl-2-[[4-[(1-methylethyl)thio]phenyl]methyl]-
CAS No: 88357-20-4 Catalog No: AG0045OL MDL No:
Product Description
Catalog Number:
AG0045OL
Chemical Name:
1,3-Dioxolane, 2-methyl-2-[[4-[(1-methylethyl)thio]phenyl]methyl]-
CAS Number:
88357-20-4
Molecular Formula:
C14H20O2S
Molecular Weight:
252.3724
IUPAC Name:
2-methyl-2-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3-dioxolane
InChI:
InChI=1S/C14H20O2S/c1-11(2)17-13-6-4-12(5-7-13)10-14(3)15-8-9-16-14/h4-7,11H,8-10H2,1-3H3
InChI Key:
BHRSFBNDOCWXDK-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)CC1(C)OCCO1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.372g/mol
Monoisotopic Mass:
252.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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