Basic information
- CAS
874523-99-6- Standard SMILES
CCOC(=N)c1ccc(C(=O)O)cc1- InChIKey
NGZPQDCDEMPTEZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 4-[Ethoxy(imino)methyl]benzoic acid
- IUPAC
- 4-(C-ethoxycarbonimidoyl)benzoic acid
- English name
- 4-(ethoxy(imino)methyl)benzoic acid
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
4-[Ethoxy(imino)methyl]benzoic acid874523-99-64-(C-ethoxycarbonimidoyl)benzoic acidSCHEMBL3905846DTXSID50695344AKOS0063301844-(ethoxy(imino)methyl)benzoic acidBenzoic acid, 4-(ethoxyiminomethyl)-
Database identifiers
- CAS
874523-99-6- PubChem CID
- 53404233
- DTXSID
DTXSID50695344
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 305.986 · 305.986±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.192 · 1.192±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.978 · 2.978±0.10(predicted)
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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