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85976-13-2 | 1,3-Dioxole, 4,5-dimethyl-
CAS No: 85976-13-2 Catalog No: AG004VO9 MDL No:
Product Description
Catalog Number:
AG004VO9
Chemical Name:
1,3-Dioxole, 4,5-dimethyl-
CAS Number:
85976-13-2
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
4,5-dimethyl-1,3-dioxole
InChI:
InChI=1S/C5H8O2/c1-4-5(2)7-3-6-4/h3H2,1-2H3
InChI Key:
TVGGZQXYTIPHSN-UHFFFAOYSA-N
SMILES:
CC1=C(C)OCO1
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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