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129141-48-6 | 1,2-Propanediol, 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-, (2R)-
CAS No: 129141-48-6 Catalog No: AG000YW3 MDL No:
Product Description
Catalog Number:
AG000YW3
Chemical Name:
1,2-Propanediol, 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-, (2R)-
CAS Number:
129141-48-6
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
2-(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
InChI:
InChI=1S/C8H16O4/c1-7(2)11-4-6(12-7)8(3,10)5-9/h6,9-10H,4-5H2,1-3H3
InChI Key:
VEVJWYFNIUERBD-UHFFFAOYSA-N
SMILES:
OC[C@]([C@@H]1COC(O1)(C)C)(O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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