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92983-85-2 | 1,3-Dioxolane-4-carboxaldehyde, (S)-
CAS No: 92983-85-2 Catalog No: AG00672G MDL No:
Product Description
Catalog Number:
AG00672G
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, (S)-
CAS Number:
92983-85-2
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
IUPAC Name:
1,3-dioxolane-4-carbaldehyde
InChI:
InChI=1S/C4H6O3/c5-1-4-2-6-3-7-4/h1,4H,2-3H2
InChI Key:
DAFLOHLGKOOTKU-UHFFFAOYSA-N
SMILES:
C1OCO[C@@H]1C=O
Properties
Complexity:
71.3
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:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| (R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathio-lan-5-one. | Acta crystallographica. Section E, Structure reports online 20090701 |
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