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17976-70-4 | Acetaldehyde, 2-(2-hydroxyethoxy)-
CAS No: 17976-70-4 Catalog No: AG00278T MDL No:
Product Description
Catalog Number:
AG00278T
Chemical Name:
Acetaldehyde, 2-(2-hydroxyethoxy)-
CAS Number:
17976-70-4
Molecular Formula:
C4H8O3
Molecular Weight:
104.1045
IUPAC Name:
2-(2-hydroxyethoxy)acetaldehyde
InChI:
InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
InChI Key:
DSGGHBUAHUMMHN-UHFFFAOYSA-N
SMILES:
OCCOCC=O
Properties
Complexity:
44.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.047g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.105g/mol
Monoisotopic Mass:
104.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Reexamination of the aqueous chemistry of N-Nitroso-3-hydroxymorpholine, a metabolite of the carcinogen N-nitrosomorpholine. | Chemical research in toxicology 20030601 |
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