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Home > Aldehydes > 114103-10-5
114103-10-5 | 1,4-Dioxane-2-acetaldehyde, 2-(2-oxoethoxy)-, (S)- (9CI)
CAS No: 114103-10-5 Catalog No: AG000AKU MDL No:
Product Description
Catalog Number:
AG000AKU
Chemical Name:
1,4-Dioxane-2-acetaldehyde, 2-(2-oxoethoxy)-, (S)- (9CI)
CAS Number:
114103-10-5
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
2-[2-(2-oxoethoxy)-1,4-dioxan-2-yl]acetaldehyde
InChI:
InChI=1S/C8H12O5/c9-2-1-8(12-4-3-10)7-11-5-6-13-8/h2-3H,1,4-7H2
InChI Key:
SUSUUYDQRLGWIZ-UHFFFAOYSA-N
SMILES:
O=CCO[C@]1(COCCO1)CC=O
Properties
Complexity:
181
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:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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