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Home > Aldehydes > 113863-58-4
113863-58-4 | 1,3-Dioxolane-4-carboxaldehyde, 2,2-dimethyl-4-(2-oxoethoxy)-, (S)- (9CI)
CAS No: 113863-58-4 Catalog No: AG0009YD MDL No:
Product Description
Catalog Number:
AG0009YD
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, 2,2-dimethyl-4-(2-oxoethoxy)-, (S)- (9CI)
CAS Number:
113863-58-4
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
2,2-dimethyl-4-(2-oxoethoxy)-1,3-dioxolane-4-carbaldehyde
InChI:
InChI=1S/C8H12O5/c1-7(2)12-6-8(5-10,13-7)11-4-3-9/h3,5H,4,6H2,1-2H3
InChI Key:
BIBOYWDZTWAXIG-UHFFFAOYSA-N
SMILES:
O=C[C@]1(OCC=O)COC(O1)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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