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Molecule
Karanjin
CAS: 521-88-0 · C18H12O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 521-88-0
- Molecular Formula
- C18H12O4
- Molecular Mass
- 292.29 g/mol
Identifiers
CAS Registry Number
521-88-0
SMILES
COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
InChI Key
LKPQNZRGGNOPPU-UHFFFAOYSA-N
InChI
InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
Names and Synonyms
- Karanjin Common Name
- 4H-Furo[2,3-h]-1-benzopyran-4-one, 3-methoxy-2-phenyl- Synonym
- Karanjin Synonym
- 3-Methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one Synonym
- NSC 335755 Synonym
- Derisom Synonym
- 3-Methoxy-2-phenylfuro[2,3-h]chromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.29 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Karanjin | CAS Common Chemistry |
| Canonical SMILES | O=C1C(OC)=C(OC2=C3C=COC3=CC=C12)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LKPQNZRGGNOPPU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | Karanjin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 52.580000000000005 Ų | RDKit |
| 52.58 Ų | RDKit | |
| LogP | 4.214800000000003 | RDKit |
| 4.2148 | RDKit | |
| Molar Refractivity | 84.24400000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 292.07355886399995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 292.29 g/mol. Edit any field — others recompute live.
