Basic information
- CAS
118803-69-3- Standard SMILES
O=C1C[C@@H](C(=O)O)Oc2ccc(F)cc21- InChIKey
BWXXHZKFLLLJQP-VIFPVBQESA-N- Molecular formula
- C10H7FO4
- Average molar mass
- 210.16 g/mol
- Monoisotopic mass
- 210.03283686
Names & identifiers
- Preferred name
- (S)-6-Fluoro-4-oxochroman-2-carboxylic acid
- IUPAC
- (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
- English name
- (S)-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic acid
- Molecular formula
- C10H7FO4
- Molecular weight
- 210.16
Names & synonyms
118803-69-3(S)-6-Fluoro-4-oxochroman-2-carboxylic acidDTXSID20436009RefChem:211123DTXCID40386835(S)-6-Fluoro-4-oxochroman-2-carboxylicacidSCHEMBL9634706(2S)-6-fluoro-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidAKOS016012234DB-328127(S)-6-fluoro-4-oxochromane-2-carboxylic acid(S)-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic acid
Show more names
(2S)-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic acid2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-4-oxo-, (2S)-
Database identifiers
- CAS
118803-69-3- PubChem CID
- 10130516
- DTXSID
DTXSID20436009- Nikkaji
- J2.085.527D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers4 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [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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