Basic information
- CAS
53032-95-4- Standard SMILES
CCOC(=O)C(=O)Cc1ccc(C(=N)N)cc1- InChIKey
FKDMTKNGKZHNAL-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Ethyl 4-amidinophenylpyruvate
- IUPAC
- ethyl 3-(4-carbamimidoylphenyl)-2-oxopropanoate
- English name
- ethyl 4-amidinophenylpyruvate
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
Ethyl 4-amidinophenylpyruvate4-Appa ethyl ester53032-95-44-Amidinophenylpyruvic acid ethyl esterDTXSID20201077RefChem:138747DTXCID20123568ethyl 3-(4-carbamimidoylphenyl)-2-oxopropanoateNSC306786DB-254705ethyl 3-(4-carbamimidoylphenyl)-2-oxo-propanoateEthyl 3-{4-[amino(imino)methyl]phenyl}-2-oxopropanoate
Show more names
Benzenepropanoic acid, 4-(aminoiminomethyl)-α-oxo-, ethyl ester
Benzenepropanoic acid, 4-(aminoiminomethyl)-alpha-oxo-, ethyl ester
Database identifiers
- CAS
53032-95-4- PubChem CID
- 171237
- DTXSID
DTXSID20201077- Nikkaji
- J367.034A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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