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Nadic Anhydride
CAS: 826-62-0 | C9H8O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
826-62-0
Molecular Formula:
C9H8O3
Molecular Mass:
164.16 g/mol
Names and Synonyms:
Nadic Anhydride
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-
5-Norbornene-2,3-dicarboxylic anhydride
3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride
2-Norbornene-5,6-dicarboxylic anhydride
3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride
5-Norbornene-2,3-dicarboxylic acid anhydride
3,6-Methano-4-cyclohexene-1,2-dicarboxylic acid anhydride
NSC 3999
4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic anhydride
Norbornenedicarboxylic anhydride
5,6-Norbornene-2,3-dicarboxylic acid anhydride
Anhydride 647
Identifiers:
SMILES:
O=C1OC(=O)C2C3C=CC(C3)C12
InChI:
InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2
Key Properties
Melting Point
98-99 °C
CAS Common Chemistry
Density
1.42 g/cm³
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 | 164.16 g/mol | CAS Common Chemistry |
| 164.15999999999997 g/mol | RDKit | |
| 164.04734411599998 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nadic_anhydride | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C2C3C=CC(C3)C12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KNDQHSIWLOJIGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98-99 °C | CAS Common Chemistry |
| Name | 5-Norbornene-2,3-dicarboxylic anhydride | CAS Common Chemistry |
| Nadic anhydride | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 0.5080999999999999 | RDKit |
| Molar Refractivity | 38.81600000000001 | RDKit |
