3-Methyl-4-oxo-phthalazine-1-carboxylate
Basic information
- CAS
16015-47-7- Standard SMILES
Cn1nc(C(=O)[O-])c2ccccc2c1=O- InChIKey
ZUEDIBGIVDXMLP-UHFFFAOYSA-M- Molecular formula
- C10H7N2O3-
- Average molar mass
- 203.17 g/mol
- Monoisotopic mass
- 203.04566709
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-phthalazine-1-carboxylate
- IUPAC
- 3-methyl-4-oxophthalazine-1-carboxylate
- English name
- 3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
3-methyl-4-oxo-phthalazine-1-carboxylateDTXSID60936230C10H7N2O3-AKOS0302401253-Methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylateVenadaparib Impurity 14Benzhexol Impurity 15（Proadifen）3-methyl-4-oxo-1-phthalazinecarboxylic acid3-methyl-4-oxophthalazine-1-carboxylic acid3-methyl-4-oxo-phthalazine-1-carboxylic acid4-keto-3-methyl-phthalazine-1-carboxylic acid1-phthalazinecarboxylic acid, 3,4-dihydro-3-methyl-4-oxo-
Show more names
3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid(SALTDATA: FREE)
Database identifiers
- CAS
16015-47-7- PubChem CID
- 4247261
- DTXSID
DTXSID60936230
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 332
Physicochemical properties
- Melting point
- 236 °C · 236 °C (decomp)
- Boiling point
- 412 · 412.0±28.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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