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113411-98-6 | 1,2-Ethanediol, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS No: 113411-98-6 Catalog No: AG0008I1 MDL No:
Product Description
Catalog Number:
AG0008I1
Chemical Name:
1,2-Ethanediol, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS Number:
113411-98-6
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
IUPAC Name:
1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol
InChI:
InChI=1S/C7H14O4/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,8-9H,3-4H2,1-2H3
InChI Key:
BZABFXBQVVXUNT-UHFFFAOYSA-N
SMILES:
OCC(C1COC(O1)(C)C)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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