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Molecule
Morin
CAS: 480-16-0 · C15H10O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 480-16-0
- Molecular Formula
- C15H10O7
- Molecular Mass
- 302.24 g/mol
Identifiers
CAS Registry Number
480-16-0
SMILES
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
InChI Key
YXOLAZRVSSWPPT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Names and Synonyms
- Morin Synonym
- 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy- Synonym
- Flavone, 2′,3,4′,5,7-pentahydroxy- Synonym
- 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one Synonym
- Morin Synonym
- 2′,3,4′,5,7-Pentahydroxyflavone Synonym
- 3,5,7,2′,4′-Pentahydroxyflavone Synonym
- 2′,4′,3,5,7-Pentahydroxyflavone Synonym
- 2′-Hydroxypelargidenolon 1522 Synonym
- C.I. Natural Yellow 11 Synonym
- 3,5,7,2′,4′-Pentahydroxyflavonol Synonym
- LY 002079 Synonym
- C.I. 75660 Synonym
- NSC 19801 Synonym
- LDN 0058388 Synonym
- Aluminum ionophore I Synonym
- 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.24 g/mol | CAS Common Chemistry |
| 302.23800000000006 g/mol | RDKit | |
| 302.238 g/mol | RDKit | |
| Canonical SMILES | O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3O | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H | CAS Common Chemistry |
| InChI Key | InChIKey=YXOLAZRVSSWPPT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 303.5 °C | CAS Common Chemistry |
| Name | Morin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 131.36 Ų | RDKit |
| 127.45 Ų | chempirical lib | |
| LogP | 1.987999999999999 | RDKit |
| 1.988 | RDKit | |
| Molar Refractivity | 76.244 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 302.04265266 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 = 302.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O7.
