Basic information
- CAS
58161-67-4- Standard SMILES
COc1cc(C=C2C(=O)C=CC2=O)cc(OC)c1O- InChIKey
BKCLHNZUGLBFEM-UHFFFAOYSA-N- Molecular formula
- C14H12O5
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.06847348
Overview
structure given in first source
Names & identifiers
- Preferred name
- Kih 202
- IUPAC
- 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
- English name
- KIH 202
- Molecular formula
- C14H12O5
- Molecular weight
- 260.24
Names & synonyms
Kih 20258161-67-4Khi 202Kih-202DTXSID50206893KHI-202RefChem:151238DTXCID801293842-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione4-Cyclopentene-1,3-dione, 2-((4-hydroxy-3,5-dimethoxyphenyl)methylene)-2-(3',5'-Dimethoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dioneorb1696765
Show more names
4-Cyclopentene-1,3-dione, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-
CHEMBL3275863NSC268348AKOS030548771NSC 268348NSC-268348DB-226960T323962-[(4-Hydroxy-3,5-dimethoxyphenyl)methylene]-4-cyclopentene-1,3-dione
Database identifiers
- CAS
58161-67-4- PubChem CID
- 99922
- DTXSID
DTXSID50206893- ChEMBL
CHEMBL3275863
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Applications
DescriptionKih 202 have hypoxic cytotoxicity to FM3A cells from C3H mice.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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