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Vitamin K4
CAS: 573-20-6 | C15H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
573-20-6
Molecular Formula:
C15H14O4
Molecular Mass:
258.27 g/mol
Names and Synonyms:
Vitamin K4
Kapathrom
1,4-Naphthalenediol, 2-methyl-, 1,4-diacetate
1,4-Naphthalenediol, 2-methyl-, diacetate
Vitamin K4
Davitamon-K
1,4-Diacetoxy-2-methylnaphthalene
Kapilin
Kapilon
Kappaxan
Kativ powder
Kayvite
Menadiol diacetate
2-Methyl-1,4-naphthohydroquinone diacetate
Prokayvit Oral
Vitamin K diacetate
Vitavel K
Acetomenaphthone
Adaprin
Pafavit
Davitamon-K-oral
2-Methyl-1,4-naphthoquinol diacetate
NSC 403062
Acetomenaphtone
Identifiers:
SMILES:
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
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
Key Properties
Melting Point
113 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.27 g/mol | CAS Common Chemistry |
| 258.273 g/mol | RDKit | |
| 258.089208928 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 |
| Molar Refractivity | 71.30300000000004 | RDKit |
