Basic information
- CAS
479-47-0- Standard SMILES
O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1- InChIKey
NHDLVKOYPQPGNT-UHFFFAOYSA-N- Molecular formula
- C10H6O8
- Average molar mass
- 254.15 g/mol
- Monoisotopic mass
- 254.00626715
Names & identifiers
- Preferred name
- 1,2,3,5-Benzene-tetracarboxylic acid
- IUPAC
- benzene-1,2,3,5-tetracarboxylic acid
- English name
- 1,2,3,5-Benzenetetracarboxylic acid
- Molecular formula
- C10H6O8
- Molecular weight
- 254.14984
Names & synonyms
479-47-01,2,3,5-Benzene-tetracarboxylic acidDTXSID00197323RefChem:214557DTXCID10119814benzene-1,2,3,5-tetracarboxylic acidprehnitic acidSCHEMBL23503orb3214526SCHEMBL2779839NHDLVKOYPQPGNT-UHFFFAOYSA-NMFCD35119739
Show more names
1,2,3,5-Benzenetetracarboxylic acid
G90285Q60818055
Database identifiers
- CAS
479-47-0- PubChem CID
- 10179
- DTXSID
DTXSID00197323- Nikkaji
- J36.633A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 357.36 °C · 357.36°C (rough estimate)
- Density
- 1.6771 · 1.6771 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 1 · pK1: 2.38;pK2: 3.51;pK3: 4.44;pK4: 5.81 (25°C)
Chemistry & industry
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
南昌市稠合医药科技有限公司18178918509 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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