Basic information
- CAS
6146-99-2- Standard SMILES
CC1=CC(=NOCC(=O)O)c2ccccc2C1=O- InChIKey
JBOOHWBSLUXBQW-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- Carboxymethylmenadione monoxime
- IUPAC
- 2-[(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
Names & synonyms
Carboxymethylmenadione monoximemenadoxime free acidE8PPM9F37KAcetic acid, (((3-methyl-4-oxo-1(4H)-naphthylidene)amino)oxy)-Acetic acid, (((3-methyl-4-oxo-1(4H)-naphthalenylidene)amino)oxy)-MENADOXIME FREE ACID [MI]DTXSID601365889Q272770092-[[(3-Methyl-4-oxo-1(4H)-naphthalenylidene)amino]oxy]acetic acidACETIC ACID, 2-(((3-METHYL-4-OXO-1(4H)-NAPHTHALENYLIDENE)AMINO)OXY)-
Database identifiers
- CAS
6146-99-2- PubChem CID
- 68447
- DTXSID
DTXSID601365889- UNII
- E8PPM9F37K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…