Basic information
- CAS
2448-39-7- Standard SMILES
Nc1ccc2oc(=O)ccc2c1.O=C(O)c1cc2ccccc2oc1=O- InChIKey
JNQXDXADJGHJDK-UHFFFAOYSA-N- Molecular formula
- C19H13NO6
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 351.07428713
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ester with 5-aminocoumarin
- IUPAC
- 6-aminochromen-2-one;2-oxochromene-3-carboxylic acid
- English name
- 6-AMinocouMarin couMarin-3-carboxylic acid salt
- Molecular formula
- C19H13NO6
- Molecular weight
- 351.30962
Names & synonyms
6-Aminocoumarin coumarin-3-carboxylic acid salt2448-39-72H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ester with 5-aminocoumarinDTXSID20179247RefChem:268334DTXCID501017386-aminochromen-2-one;2-oxochromene-3-carboxylic acidH816372-Oxo-2H-1-benzopyran-3-carboxylic acid--6-amino-2H-1-benzopyran-2-one (1/1)6-aminochromen-2-one,2-oxochromene-3-carboxylicacid
Database identifiers
- CAS
2448-39-7- PubChem CID
- 200656
- DTXSID
DTXSID20179247
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 482.68 °C · 482.68°C (rough estimate)
- Density
- 1.4714 · 1.4714 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
Chemistry & industry
Suppliers5 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江西洛特化工有限公司+8615270827708 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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