Basic information
- CAS
105799-77-7- Standard SMILES
O=C(O)c1cc2c(s1)-c1ccccc1OC2c1ccccc1- InChIKey
OKVWPULYXWCZQE-UHFFFAOYSA-N- Molecular formula
- C18H12O3S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.05071541
Names & identifiers
- Preferred name
- ZY-15850A free acid
- IUPAC
- 4-phenyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
Names & synonyms
ZY-15850A free acidTP9458S156UNII-TP9458S156105799-77-74H-Thieno(3,2-C)(1)benzopyran-2-carboxylic acid, 4-phenyl-SCHEMBL2746254Q27290108
Database identifiers
- CAS
105799-77-7- PubChem CID
- 129113
- UNII
- TP9458S156
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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