Basic information
- CAS
199929-14-1- Standard SMILES
Cc1cc([N+](=O)[O-])c(O)cc1C(=O)O- InChIKey
GTPHIVGERSJEOD-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
Names & identifiers
- Preferred name
- 5-Hydroxy-2-methyl-4-nitrobenzoic acid
- IUPAC
- 5-hydroxy-2-methyl-4-nitrobenzoic acid
- English name
- Benzoic acid, 5-hydroxy-2-methyl-4-nitro- (9CI)
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
5-hydroxy-2-methyl-4-nitrobenzoic acid199929-14-1Benzoic acid, 5-hydroxy-2-methyl-4-nitro- (9CI)5-hydroxy-2-methyl-4-nitrobenzoicacidDA-37315Benzoic acid, 5-hydroxy-2-methyl-4-nitro-
Database identifiers
- CAS
199929-14-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 388 · 388.0±42.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.13(Predicted)
Chemistry & industry
Suppliers5 total
河北朵放科技有限公司13127301785 · [email protected]
Shanghai Gubang New Materail Technology Co. LTD21-51317962 +86-18721305404 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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