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85981-76-6 | 1,2-Dioxolane, 3,3-dimethyl-5-phenyl-
CAS No: 85981-76-6 Catalog No: AG004Q4G MDL No:
Product Description
Catalog Number:
AG004Q4G
Chemical Name:
1,2-Dioxolane, 3,3-dimethyl-5-phenyl-
CAS Number:
85981-76-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3,3-dimethyl-5-phenyldioxolane
InChI:
InChI=1S/C11H14O2/c1-11(2)8-10(12-13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChI Key:
UCNZURJREWDTOH-UHFFFAOYSA-N
SMILES:
CC1(C)OOC(C1)c1ccccc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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