4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic Acid
Basic information
- CAS
730949-99-2- Standard SMILES
Cc1[nH]c(C(=O)O)c(C)c1C(C)O- InChIKey
KQNRJTQRXYCIKO-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic Acid
- IUPAC
- 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Names & synonyms
4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic AcidDTXSID301183490AKOS026730008730949-99-2F2124-0555
Database identifiers
- CAS
730949-99-2- PubChem CID
- 3801550
- DTXSID
DTXSID301183490
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…