3-(2-Nitrophenyl)sulfanylpropanoic acid
Basic information
- CAS
5324-52-7- Standard SMILES
O=C(O)CCSc1ccccc1[N+](=O)[O-]- InChIKey
OHKLQMGZGZMTJL-UHFFFAOYSA-N- Molecular formula
- C9H9NO4S
- Average molar mass
- 227.24 g/mol
- Monoisotopic mass
- 227.02522894
Names & identifiers
- Preferred name
- 3-(2-Nitrophenyl)sulfanylpropanoic acid
- IUPAC
- 3-(2-nitrophenyl)sulfanylpropanoic acid
Names & synonyms
5324-52-73-(2-nitrophenyl)sulfanylpropanoic acid3-[(2-nitrophenyl)sulfanyl]propanoic acid3-((2-nitrophenyl)thio)propanoic acid3-[(2-nitrophenyl)thio]propanoic acidNSC2701SCHEMBL8941933DTXSID00277513NSC-2701AKOS0001787373-[(2-NITROPHENYL)THIO]PROPIONIC ACID
Database identifiers
- CAS
5324-52-7- PubChem CID
- 220237
- DTXSID
DTXSID00277513
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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