Rec 1-0270
Basic information
- CAS
3468-04-0- Standard SMILES
CC[NH+](CC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-]- InChIKey
BVFKIUOZOWYVNL-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO4
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.155036
Names & identifiers
- Preferred name
- Rec 1-0270
- IUPAC
- diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
Names & synonyms
REC 1-02703468-04-0RefChem:1097962Diethylaminoethyl 3-methylflavone-8-carboxylate hydrochloride4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
3468-04-0- PubChem CID
- 18970
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
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Compound notes
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