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Molecule
1-Naphthyl Phosphate
CAS: 1136-89-6 · C10H9O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1136-89-6
- Molecular Formula
- C10H9O4P
- Molecular Mass
- 224.15 g/mol
Identifiers
CAS Registry Number
1136-89-6
SMILES
O=P(O)(O)Oc1cccc2ccccc12
InChI Key
YNXICDMQCQPQEW-UHFFFAOYSA-N
InChI
InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
Names and Synonyms
- 1-Naphthyl Phosphate Systematic Name
- 1-Naphthalenol, 1-(dihydrogen phosphate) Synonym
- 1-Naphthol, dihydrogen phosphate Synonym
- 1-Naphthalenol, dihydrogen phosphate Synonym
- 1-Naphthyl phosphate Synonym
- α-Naphthyl phosphate Synonym
- Naphthol 1-phosphate Synonym
- α-Naphthol phosphate Synonym
- Phosphoric acid α-naphthyl ester Synonym
- 1-Naphthyl dihydrogen phosphate Synonym
- α-Naphthyl acid phosphate Synonym
- Naphthyl dihydrogen phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.15 g/mol | CAS Common Chemistry |
| 224.15200000000002 g/mol | RDKit | |
| 224.152 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)OC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YNXICDMQCQPQEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | 1-Naphthyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 2.3113 | RDKit |
| Molar Refractivity | 56.62010000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 224.02384539800002 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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| 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 = 224.15 g/mol. Edit any field — others recompute live.
