Basic information
- CAS
76435-52-4- Standard SMILES
O=C(O)CN=C1C=CC(=NCC(=O)O)C=C1- InChIKey
KSSHQUGWPMDEAA-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- 2-[[4-(Carboxymethylimino)cyclohexa-2,5-dien-1-ylidene]amino]acetic acid
- IUPAC
- 2-[[4-(carboxymethylimino)cyclohexa-2,5-dien-1-ylidene]amino]acetic acid
Names & synonyms
76435-52-4NSC353481DTXSID10319993NSC-3534812,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}diacetic acid2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}diacetic acid
Database identifiers
- CAS
76435-52-4- PubChem CID
- 337003
- DTXSID
DTXSID10319993- Nikkaji
- J2.046.650B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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