2-Methyl-1,2,3-propanetricarboxylic acid
Basic information
- CAS
1590-02-9- Standard SMILES
CC(CC(=O)O)(CC(=O)O)C(=O)O- InChIKey
GPICKHDXBPTBLD-UHFFFAOYSA-N- Molecular formula
- C7H10O6
- Average molar mass
- 190.15 g/mol
- Monoisotopic mass
- 190.04773803
Names & identifiers
- Preferred name
- 2-Methyl-1,2,3-propanetricarboxylic acid
- IUPAC
- 2-methylpropane-1,2,3-tricarboxylic acid
- English name
- 2-METHYLPROPANE TRICARBOXYLIC ACID
- Molecular formula
- C7H10O6
- Molecular weight
- 190.15
Names & synonyms
1590-02-92-methyl-1,2,3-propanetricarboxylic acidDTXSID00166554RefChem:1063621DTXCID7089045216-460-22-methylpropane-1,2,3-tricarboxylic acidNSC66538NSC-66538EINECS 216-460-2SCHEMBL503703CHEMBL1606018
Show more names
B-MethyltricarballylicAcidBETA-METHYLTRICARBOXYLIC ACIDbeta-methyltricarballylic acid2-METHYLPROPANE TRICARBOXYLIC ACID1,2,3-Propanetricarboxylic acid, 2-methyl-2-hydroxy-2-methylpropane-1,2,3-tricarboxylic acid
GPICKHDXBPTBLD-UHFFFAOYSA-GPICKHDXBPTBLD-UHFFFAOYSA-NNCI66538CCG-36304NCGC00013768NSC 665382-methyl-1,2,3-propanetricarboxylicAKOS006282600
Database identifiers
- CAS
1590-02-9- PubChem CID
- 74119
- DTXSID
DTXSID00166554- ChEMBL
CHEMBL1606018- EC Number
- 216-460-2
- Nikkaji
- J206.829J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 154 · 154-156 °C
- Boiling point
- 273.3 · 273.3±20.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.15(Predicted)
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Related reactions
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Compound notes
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