Basic information
- CAS
2044707-24-4- Standard SMILES
Cc1ccsc1CC(C#N)C(=O)O- InChIKey
OARMMOMGPJRPQE-UHFFFAOYSA-N- Molecular formula
- C9H9NO2S
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.0353997
Names & identifiers
- Preferred name
- 2-Cyano-3-(3-methyl-2-thienyl)propionic Acid
- IUPAC
- 2-cyano-3-(3-methylthiophen-2-yl)propanoic acid
Names & synonyms
2044707-24-42-Cyano-3-(3-methyl-2-thienyl)propionic Acid2-Cyano-3-(3-methylthiophen-2-yl)propanoic acid2-Cyano-3-(3-methyl-2-thienyl)propionicAcidMFCD30479687DTXSID601257242AC5376AKOS037629719SY0479402-Thiophenepropanoic acid, |A-cyano-3-methyl-2-Thiophenepropanoic acid, I+/--cyano-3-methyl-
Database identifiers
- CAS
2044707-24-4- PubChem CID
- 23452425
- DTXSID
DTXSID601257242
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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