Sodium;prop-2-enoate;prop-2-enoic acid;2-sulfanylethanol
Basic information
- CAS
144014-09-5- Standard SMILES
C=CC(=O)O.C=CC(=O)[O-].OCCS.[Na+]- InChIKey
DWWRATBFNRTCJC-UHFFFAOYSA-M- Molecular formula
- C8H13NaO5S
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.03813897
Overview
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Names & identifiers
- Preferred name
- Sodium;prop-2-enoate;prop-2-enoic acid;2-sulfanylethanol
- IUPAC
- sodium;prop-2-enoate;prop-2-enoic acid;2-sulfanylethanol
Names & synonyms
144014-09-5DWWRATBFNRTCJC-UHFFFAOYSA-M
Database identifiers
- CAS
144014-09-5- PubChem CID
- 44147477
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 126
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Related reactions
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Compound notes
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