Basic information
- CAS
55203-12-8- Standard SMILES
O=C(O)COC(C(=O)O)C(=O)O- InChIKey
LVVZBNKWTVZSIU-UHFFFAOYSA-N- Molecular formula
- C5H6O7
- Average molar mass
- 178.1 g/mol
- Monoisotopic mass
- 178.01135253
Names & identifiers
- Preferred name
- 2-(Carboxymethoxy)propanedioic acid
- IUPAC
- 2-(carboxymethoxy)propanedioic acid
Names & synonyms
Propanedioic acid, (carboxymethoxy)-55203-12-8DTXSID902037002-(CARBOXYMETHOXY)PROPANEDIOIC ACIDRefChem:1061516DTXCID80126191(CARBOXYMETHOXY)PROPANEDIOIC ACID(Carboxymethoxy)malonic acidO-(Carboxymethyl)tartronic acidBRN 2261035carboxymethoxypropanedioic acidSCHEMBL170210
Database identifiers
- CAS
55203-12-8- PubChem CID
- 39077
- DTXSID
DTXSID90203700- Nikkaji
- J1.617.997C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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