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124867-21-6 | 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, diacetate, cis- (9CI)
CAS No: 124867-21-6 Catalog No: AG000MTO MDL No:
Product Description
Catalog Number:
AG000MTO
Chemical Name:
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, diacetate, cis- (9CI)
CAS Number:
124867-21-6
Molecular Formula:
C11H18O6
Molecular Weight:
246.2570
IUPAC Name:
acetic acid;[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
InChI:
InChI=1S/C7H14O4.2C2H4O2/c1-7(2)10-5(3-8)6(4-9)11-7;2*1-2(3)4/h5-6,8-9H,3-4H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
NXVIHCRUDLOWSC-UHFFFAOYSA-N
SMILES:
CC(=O)OC[C@@H]1OC(O[C@@H]1COC(=O)C)(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.289g/mol
Monoisotopic Mass:
282.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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