Basic information
- CAS
55509-78-9- Standard SMILES
O=C(O)CC[Se](=O)O- InChIKey
MWCFLVIINTZQSP-UHFFFAOYSA-N- Molecular formula
- C3H6O4Se
- Average molar mass
- 185.05 g/mol
- Monoisotopic mass
- 185.94313
Names & identifiers
- Preferred name
- Propionic acid, 3-selenino-
- IUPAC
- 3-seleninopropanoic acid
- English name
- 3-Seleninopropionic acid
- Molecular formula
- C3H6O4Se
- Molecular weight
- 185.04
Names & synonyms
Propionic acid, 3-selenino-3-seleninopropanoic acidPropanoic acid, 3-selenino-beta-Seleninopropionic acid55509-78-9JY9NQ3OZE7NSC 243628BRN 1759840UNII-JY9NQ3OZE7NSC-243628DTXSID802040893-04-00-00079 (Beilstein Handbook Reference)
Show more names
2-CARBOXYETHANESELENINIC ACIDPROPIONIC ACID, .BETA.-SELENINO-RefChem:176423DTXCID30126580Propanoic acid, 3-selenino-(9CI)PROPIONIC ACID, BETA-SELENINO-3-Seleninopropionic acidNSC243628
Database identifiers
- CAS
55509-78-9- PubChem CID
- 99569
- DTXSID
DTXSID80204089- UNII
- JY9NQ3OZE7
- Nikkaji
- J71.062H
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 154.9 · 154.9±42.0 °C(Predicted)
- pka
- 6.4 · 6.40±0.10(Predicted)
- FDA UNII
- 9 NQ3OZE7 · JY9NQ3OZE7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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