Basic information
- CAS
65515-37-9- Standard SMILES
COc1nc(C)cc(C)c1C(=O)O- InChIKey
OILYJALBGQMVGR-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2-Methoxy-4,6-dimethylnicotinic acid
- IUPAC
- 2-methoxy-4,6-dimethylpyridine-3-carboxylic acid
- English name
- 2-METHOXY-4,6-DIMETHYLPYRIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2-methoxy-4,6-dimethylnicotinic acid65515-37-92-methoxy-4,6-dimethylpyridine-3-carboxylic acidMFCD02090095Maybridge3_005469Oprea1_703284SCHEMBL11607443DTXSID10369514HMS1446I132-methoxy-4,6-dimethylnicotinicacidAKOS009045777IDI1_016856
Show more names
2-Methoxy-4,6-dimethylpyridin-3-carboxylic acid3-Pyridinecarboxylic acid, 2-methoxy-4,6-dimethyl-
AS-42265DB-347208CS-03174112-Methoxy-4,6-dimethyl-3-pyridinecarboxylic acid2-methoxy-4,6-dimethyl-pyridine-3-carboxylic acid
Database identifiers
- CAS
65515-37-9- PubChem CID
- 2728516
- DTXSID
DTXSID10369514
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 320.8 · 320.8±37.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 1.79 · 1.79±0.38(Predicted)
Chemistry & industry
Suppliers3 total
苏州施亚生物科技有限公司17715136450 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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