Basic information
- CAS
40885-82-3- Standard SMILES
O=C(O)C(=NNc1ccccc1)C(=O)O- InChIKey
HTIRYCBOOVHGKR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.04840674
Names & identifiers
- Preferred name
- 2-(2-Phenylhydrazono)malonic acid
- IUPAC
- 2-(phenylhydrazinylidene)propanedioic acid
- English name
- 2-(PHENYLHYDRAZONO)MALONIC ACID
- Molecular formula
- C9H8N2O4
- Molecular weight
- 208.17
Names & synonyms
2-(2-Phenylhydrazono)malonic acid40885-82-32-(Phenylhydrazono)malonic acid2-(phenylhydrazinylidene)propanedioic acidKetomalonic acid phenylhydrazone2-(2-Phenylhydrazono)malonicacid2-(PHENYLHYDRAZONO)MALONICACIDPropanedioic acid, (phenylhydrazono)-Mesoxalsaurephenylhydrazon2-(2-phenylhydrazin-1-ylidene)propanedioic acid(phenylhydrazono)malonic acidMesoxalic acid, phenylhydrazone
Show more names
Propanedioic acid, 2-(2-phenylhydrazinylidene)-
SCHEMBL11239002-(phenylhydrazono)-malonic acidDTXSID203383522-(Phenylhydrazono)malonic acid #(2-Phenylhydrazinylidene)propanedioic acidDA-17155
Database identifiers
- CAS
40885-82-3- PubChem CID
- 548634
- DTXSID
DTXSID20338352- Nikkaji
- J131.865I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 164 °C · 164 °C
- Boiling point
- 439.3 · 439.3±28.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.87 · 0.87±0.41(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Related reactions
7 records
Compound notes
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