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Home > Aldehydes > 111964-99-9
111964-99-9 | Acetaldehyde, (2-methoxyethoxy)-
CAS No: 111964-99-9 Catalog No: AG0083SL MDL No:
Product Description
Catalog Number:
AG0083SL
Chemical Name:
Acetaldehyde, (2-methoxyethoxy)-
CAS Number:
111964-99-9
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
IUPAC Name:
2-(2-methoxyethoxy)acetaldehyde
InChI:
InChI=1S/C5H10O3/c1-7-4-5-8-3-2-6/h2H,3-5H2,1H3
InChI Key:
KEAGYJMKALOSDP-UHFFFAOYSA-N
SMILES:
COCCOCC=O
Properties
Complexity:
53.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| A computational approach to the synthesis of dirithromycin. | Journal of molecular modeling 20040401 |
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