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Molecule
Anthranilic acid, methyl ester
CAS: 134-20-3 · C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 134-20-3
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
134-20-3
SMILES
COC(=O)c1ccccc1N
InChI Key
VAMXMNNIEUEQDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
Names and Synonyms
- Anthranilic acid, methyl ester Synonym
- Methyl Anthranilate Synonym
- Benzoic acid, 2-amino-, methyl ester Synonym
- Methyl 2-aminobenzoate Synonym
- Methyl anthranilate Synonym
- Methyl o-aminobenzoate Synonym
- 2-Aminobenzoic acid methyl ester Synonym
- 2-(Methoxycarbonyl)aniline Synonym
- o-Carbomethoxyaniline Synonym
- 2-Carbomethoxyaniline Synonym
- o-Aminobenzoic acid methyl ester Synonym
- ReJex-iT Synonym
- Bird Shield Synonym
- Rejex-iT TP 40 Synonym
- Rejex-iT AP 50 Synonym
- [2-(Methoxycarbonyl)phenyl]amine Synonym
- o-(Methoxycarbonyl)aniline Synonym
- NSC 3109 Synonym
- Grain 96-1 Synonym
- Sunarome UVA Synonym
- Methyl 6-aminobenzoate Synonym
- Fog Force Synonym
- RejeX-it Fog Force Synonym
- 2-Amino-1-methylbenzoate Synonym
- PPC 17F Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.16499999999996 g/mol | RDKit | |
| 151.165 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.168 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_anthranilate | CAS Common Chemistry |
| Boiling Point | 256 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VAMXMNNIEUEQDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.5 °C | CAS Common Chemistry |
| Name | Methyl anthranilate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 1.0554 | RDKit |
| Molar Refractivity | 42.19390000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 151.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 151.17 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO2.
