Completing data — usually done within a minute
Basic information
- CAS
129920-09-8- Standard SMILES
COC(=O)c1cc(CCCO)ccn1- InChIKey
QIWUKLIBCDMJHW-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Methyl 4-(3-hydroxypropyl)pyridine-2-carboxylate
- IUPAC
- methyl 4-(3-hydroxypropyl)pyridine-2-carboxylate
Names & synonyms
129920-09-8Methyl 4-(3-hydroxypropyl)pyridine-2-carboxylateSCHEMBL4871286DTXSID00579721QIWUKLIBCDMJHW-UHFFFAOYSA-N4-(3-hydroxy-propyl)-pyridine-2-carboxylic acid methyl ester
Database identifiers
- CAS
129920-09-8- PubChem CID
- 15928280
- DTXSID
DTXSID00579721
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
2 records
Compound notes
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