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87683-81-6 | 1,3-Dioxan-5-one
CAS No: 87683-81-6 Catalog No: AG004K9V MDL No:
Product Description
Catalog Number:
AG004K9V
Chemical Name:
1,3-Dioxan-5-one
CAS Number:
87683-81-6
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
IUPAC Name:
1,3-dioxan-5-one
InChI:
InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1-3H2
InChI Key:
GYRVFISXYPPJBT-UHFFFAOYSA-N
SMILES:
O=C1COCOC1
Properties
Complexity:
71
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.089g/mol
Monoisotopic Mass:
102.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Mimicking dihydroxy acetone phosphate-utilizing aldolases through organocatalysis: a facile route to carbohydrates and aminosugars. | Organic letters 20050331 |
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