1H-pyrrole-2-sulphonic acid
Basic information
- CAS
84864-63-1- Standard SMILES
O=S(=O)(O)c1ccc[nH]1- InChIKey
KKQCQCXUVZBOCL-UHFFFAOYSA-N- Molecular formula
- C4H5NO3S
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 146.9990142
Names & identifiers
- Preferred name
- 1H-pyrrole-2-sulphonic acid
- IUPAC
- 1H-pyrrole-2-sulfonic acid
- English name
- 1H-pyrrole-2-sulphonic acid
- Molecular formula
- C4H5NO3S
- Molecular weight
- 147.15
Names & synonyms
1H-pyrrole-2-sulfonic acid1H-Pyrrole-2-sulphonic acidJ6H8QR2EY9EINECS 284-386-8DTXSID10233923RefChem:79956DTXCID4015641484864-63-1UNII-J6H8QR2EY9101211-94-32-PyrrolsulfonsaureSCHEMBL329181
Show more names
SCHEMBL7369231H-Pyrrolesulfonic acid (9CI)KKQCQCXUVZBOCL-UHFFFAOYSA-NNS00060154
Database identifiers
- CAS
84864-63-1- PubChem CID
- 3020184
- DTXSID
DTXSID10233923- UNII
- J6H8QR2EY9
- EC Number
- 284-386-8
- Nikkaji
- J333.588G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- FDA UNII
- 6 H8QR2EY9 · J6H8QR2EY9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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