Terephthalyldihydroxamic acid
Basic information
- CAS
20073-80-7- Standard SMILES
O=C(NO)c1ccc(C(=O)NO)cc1- InChIKey
YAJCYOUHZABXFT-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Terephthalyldihydroxamic acid
- IUPAC
- 1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
- English name
- Benzene-1,4-dicarbohydroxamic acid
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
Terephthalohydroxamic acidTerephthalodihydroxamic acidTerephthalyldihydroxamic acid1,4-BENZENEDICARBOXAMIDE, N1,N4-DIHYDROXY-MS9G3AGO1LWR 74,1061,4-Benzenedicarboxamide, N,N'-dihydroxy-NSC 129408N1,N4-DIHYDROXY-1,4-BENZENEDICARBOXAMIDEN,N'-Dihydroxy-1,4-benzenedicarboxamideUNII-MS9G3AGO1LNSC-129408
Show more names
N1,N4-dihydroxyterephthalamidebenzene-1,4-diformyloxyoximeacid1,4-Benzenedicarbohydroximic acidN,N'-dihydroxybenzene-1,4-dicarboxamideN,N''-dihydroxybenzene-1,4-dicarboxamide
WR-74106DTXSID301738921,4-BENZENEDI-N-HYDROXYCARBOXAMIDERefChem:203229DTXCID70963831,4-Benzenedicarboxamide, N,N'-dihydroxy-(9CI)20073-80-7Benzene-1,4-dicarbohydroxamic acid
Database identifiers
- CAS
20073-80-7- PubChem CID
- 88356
- DTXSID
DTXSID30173892- ChEMBL
CHEMBL1979892- UNII
- MS9G3AGO1L
- Nikkaji
- J3.753.682B、J48.773B
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 236 °C · 236 °C (decomp)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- 8.2 · 8.20±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 G3AGO1L · MS9G3AGO1L
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Related reactions
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Compound notes
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