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Molecule
2-Methyl-1,4-Naphthoquinone Sodium Bisulfite
CAS: 130-37-0 · C11H10NaO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 130-37-0
- Molecular Formula
- C11H10NaO5S
- Molecular Mass
- 277.25 g/mol
Identifiers
CAS Registry Number
130-37-0
SMILES
CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.[Na]
InChI Key
CPXLSZUJVOZQLO-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);
Names and Synonyms
- 2-Methyl-1,4-Naphthoquinone Sodium Bisulfite Synonym
- 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt (1:1) Synonym
- 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt Synonym
- Hemoklot Synonym
- Hetrogen K Synonym
- Ido-K Synonym
- Hykinone Synonym
- Kavitan Synonym
- Klotogen F Synonym
- Klotogen Synonym
- Menadione bisulfite Synonym
- Menadione sodium bisulfite Synonym
- Menadione sodium hydrogen sulfite Synonym
- 2-Methyl-1,4-naphthoquinone sodium bisulfite Synonym
- MSBC Synonym
- Sodium menadione bisulfite Synonym
- 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid sodium salt Synonym
- Vikasol Synonym
- Vitamin K3 sodium bisulfite Synonym
- Vitamin K injection Synonym
- 1,4-Naphthalenedione, 2-methyl-, sodium bisulfite deriv. Synonym
- 2-Methylnaphthoquinone sodium hydrogen sulfite Synonym
- Golagen K Synonym
- Klotogen F 227 Synonym
- Klotogen F 16 Synonym
- Hetrogen K Premix Synonym
- Kavitamin Synonym
- Kalzon Synonym
- K-Trombina Synonym
- Menaphthone sodium bisulphite Synonym
- Menaphthone sodium bisulfite Synonym
- 2,3-Dihydro-2-methyl-1,4-naphthoquinone-2-sulfonate sodium Synonym
- Kawitan Synonym
- 2-Methyl-1,4-naphthoquinone sodium hydrogen sulfite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.25 g/mol | CAS Common Chemistry |
| 277.253 g/mol | RDKit | |
| 278.254 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C(C)(C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16); | CAS Common Chemistry |
| InChI Key | InChIKey=CPXLSZUJVOZQLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-1,4-naphthoquinone sodium bisulfite | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.50999999999999 Ų | RDKit |
| 88.51 Ų | RDKit | |
| LogP | 0.7214 | RDKit |
| Molar Refractivity | 65.42760000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 277.0146637 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
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MW = 277.25 g/mol. Edit any field — others recompute live.
