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Molecule
Noreugenin
CAS: 1013-69-0 · C10H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1013-69-0
- Molecular Formula
- C10H8O4
- Molecular Mass
- 192.17 g/mol
Identifiers
CAS Registry Number
1013-69-0
SMILES
Cc1cc(=O)c2c(O)cc(O)cc2o1
InChI Key
NCUJRUDLFCGVOE-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3
Names and Synonyms
- Noreugenin Synonym
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-methyl- Synonym
- Chromone, 5,7-dihydroxy-2-methyl- Synonym
- 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one Synonym
- Noreugenin Synonym
- 5,7-Dihydroxy-2-methylchromone Synonym
- 2-Methyl-5,7-dihydroxychromone Synonym
- 5,7-Dihydroxy-2-methylchromome Synonym
- RonaCare Luremin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.17 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C(OC=2C=C(O)C=C(O)C12)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NCUJRUDLFCGVOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 279 °C | CAS Common Chemistry |
| Name | Noreugenin | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.67 Ų | RDKit |
| 66.76 Ų | chempirical lib | |
| LogP | 1.5126199999999999 | RDKit |
| 1.5126 | RDKit | |
| Molar Refractivity | 50.55060000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 192.042258736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 192.17 g/mol. Edit any field — others recompute live.
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