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Molecule
Vitamin K4
CAS: 573-20-6 · C15H14O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 573-20-6
- Molecular Formula
- C15H14O4
- Molecular Mass
- 258.27 g/mol
Identifiers
CAS Registry Number
573-20-6
SMILES
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
InChI Key
RYWSYCQQUDFMAU-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
Names and Synonyms
- Vitamin K4 Synonym
- Kapathrom Synonym
- 1,4-Naphthalenediol, 2-methyl-, 1,4-diacetate Synonym
- 1,4-Naphthalenediol, 2-methyl-, diacetate Synonym
- Vitamin K4 Synonym
- Davitamon-K Synonym
- 1,4-Diacetoxy-2-methylnaphthalene Synonym
- Kapilin Synonym
- Kapilon Synonym
- Kappaxan Synonym
- Kativ powder Synonym
- Kayvite Synonym
- Menadiol diacetate Synonym
- 2-Methyl-1,4-naphthohydroquinone diacetate Synonym
- Prokayvit Oral Synonym
- Vitamin K diacetate Synonym
- Vitavel K Synonym
- Acetomenaphthone Synonym
- Adaprin Synonym
- Pafavit Synonym
- Davitamon-K-oral Synonym
- 2-Methyl-1,4-naphthoquinol diacetate Synonym
- NSC 403062 Synonym
- Acetomenaphtone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.27 g/mol | CAS Common Chemistry |
| 258.273 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC(=C(OC(=O)C)C=2C=CC=CC12)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RYWSYCQQUDFMAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | Vitamin K4 | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.998820000000001 | RDKit |
| 2.9988 | RDKit | |
| Molar Refractivity | 71.30300000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 258.089208928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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 = 258.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O4.
