Basic information
- CAS
27757-79-5- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2ccccc2)c1O- InChIKey
DYMRMULFWJUGDJ-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(phenylazo)-2-naphthoic acid
- IUPAC
- 3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxylic acid
- English name
- 3-hydroxy-4-(phenylazo)-2-naphthoic acid
- Molecular formula
- C17H12N2O3
- Molecular weight
- 292.29
Names & synonyms
27757-79-53-Hydroxy-4-(phenylazo)-2-naphthoic acidBrilliant lake red RNSC-117132-Naphthalenecarboxylic acid, 3-hydroxy-4-(phenylazo)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxylic acidEINECS 248-638-0NSC 11713SCZ3R5MPS5SCHEMBL343951SCHEMBL343952CHEMBL1976469
Show more names
2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-phenyldiazenyl)-
DTXSID8091538SCHEMBL21436312SCHEMBL29582683DYMRMULFWJUGDJ-UHFFFAOYSA-N2-Naphthalenecarboxylicacid, 3-hydroxy-4-(2-phenyldiazenyl)-NSC117133-Hydroxy-4-phenylazo-2-naphthoic acid4-phenylazo-3-hydroxy-2-naphthoic acid
Database identifiers
- CAS
27757-79-5- PubChem CID
- 80753
- DTXSID
DTXSID8091538- ChEMBL
CHEMBL1976469- UNII
- SCZ3R5MPS5
- EC Number
- 248-638-0
- Nikkaji
- J32.185K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 275 °C · >275 °C
- Boiling point
- 508.7 · 508.7±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2.67 · 2.67±0.30(Predicted)
Chemistry & industry
Suppliers2 total
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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