Basic information
- CAS
78790-88-2- Standard SMILES
CCOc1cnccc1C(=O)O- InChIKey
QCLRSXUNLYWRRG-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-Ethoxyisonicotinic acid
- IUPAC
- 3-ethoxypyridine-4-carboxylic acid
- English name
- 3-ethoxyisonicotinic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-Ethoxyisonicotinic acid78790-88-23-ethoxypyridine-4-carboxylic acidMFCD111000493-ethoxyisonicotinicacidSCHEMBL21056814DTXSID50511878SBB052905AKOS006308950SB53548TS-02249C76521
Show more names
4-Pyridinecarboxylic acid, 3-ethoxy-
F065919
Database identifiers
- CAS
78790-88-2- PubChem CID
- 12866696
- DTXSID
DTXSID50511878
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 141 · 141-144 °C
- Boiling point
- 397.5 · 397.5±22.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.96 · 1.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
苏州美石生物科技有限公司1173954148q · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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