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Molecule
Methyl N-(7-Hydroxy-1-Naphthalenyl)Carbamate
CAS: 132-63-8 · C12H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132-63-8
- Molecular Formula
- C12H11NO3
- Molecular Mass
- 217.22 g/mol
Identifiers
CAS Registry Number
132-63-8
SMILES
COC(O)=Nc1cccc2ccc(O)cc12
InChI Key
DZNFLGGCJZUMEM-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)
Names and Synonyms
- Methyl N-(7-Hydroxy-1-Naphthalenyl)Carbamate Common Name
- Carbamic acid, N-(7-hydroxy-1-naphthalenyl)-, methyl ester Synonym
- 1-Naphthalenecarbamic acid, 7-hydroxy-, methyl ester Synonym
- Carbamic acid, (7-hydroxy-1-naphthalenyl)-, methyl ester Synonym
- Methyl N-(7-hydroxy-1-naphthalenyl)carbamate Synonym
- 1-Methoxycarbonylamino-7-naphthol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.22 g/mol | CAS Common Chemistry |
| 217.224 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)NC1=CC=CC2=CC=C(O)C=C21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15) | CAS Common Chemistry |
| InChI Key | InChIKey=DZNFLGGCJZUMEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Methyl N-(7-hydroxy-1-naphthalenyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 2.7373000000000003 | RDKit |
| 2.7373 | RDKit | |
| Molar Refractivity | 62.34560000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 217.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 217.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11NO3.
