Basic information
- CAS
94736-67-1- Standard SMILES
COc1cc2c(c3oc(C(=O)O)cc(=O)c13)C=CC(C)(C)O2- InChIKey
CYENPHRRKQQAOP-UHFFFAOYSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903816
Overview
Perforatic acid has been reported in Harrisonia perforata and Cynanchum acidum with data available.
Names & identifiers
- Preferred name
- Perforatic Acid
- IUPAC
- 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylic acid
- English name
- perforatic acid
- Molecular formula
- C16H14O6
- Molecular weight
- 302.28
Names & synonyms
Perforatic acid94736-67-15-methoxy-8,8-dimethyl-4-oxo-4H,8H-benzo(1,2-b:3,4-b)dipyran-2-carboxylic acid5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylic acid5-methoxy-8,8-dimethyl-4-oxopyrano(2,3-h)chromene-2-carboxylic acidRefChem:1716885-Methoxy-8,8-dimethyl-4-oxo-4H,8H-benzo(1,2-b:3,4-b')dipyran-2-carboxylic acid4H,8H-Benzo(1,2-b:3,4-b')dipyran-2-carboxylic acid, 5-methoxy-8,8-dimethyl-4-oxo-5-Methoxy-8,8-dimethyl-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-2-carboxylic acidCHEMBL2164949SCHEMBL27822137DTXSID70915334
Show more names
4H,8H-Benzo[1,2-b:3,4-b']dipyran-2-carboxylic acid, 5-methoxy-8,8-dimethyl-4-oxo-
Database identifiers
- CAS
94736-67-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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