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85981-69-7 | 1,2-Dioxolane, 3,3-dimethyl-5-(2-methylphenyl)-
CAS No: 85981-69-7 Catalog No: AG004M82 MDL No:
Product Description
Catalog Number:
AG004M82
Chemical Name:
1,2-Dioxolane, 3,3-dimethyl-5-(2-methylphenyl)-
CAS Number:
85981-69-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3,3-dimethyl-5-(2-methylphenyl)dioxolane
InChI:
InChI=1S/C12H16O2/c1-9-6-4-5-7-10(9)11-8-12(2,3)14-13-11/h4-7,11H,8H2,1-3H3
InChI Key:
MPWJMDUSVFZEKT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C1OOC(C1)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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