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115114-86-8 | Ethanone, 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-
CAS No: 115114-86-8 Catalog No: AG000GAH MDL No:
Product Description
Catalog Number:
AG000GAH
Chemical Name:
Ethanone, 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-
CAS Number:
115114-86-8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethanone
InChI:
InChI=1S/C7H12O4/c1-7(2)10-4-6(11-7)5(9)3-8/h6,8H,3-4H2,1-2H3/t6-/m0/s1
InChI Key:
UDEWEEBHLHMAOR-LURJTMIESA-N
SMILES:
OCC(=O)[C@@H]1COC(O1)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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