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Molecule
Rikacid Mh
CAS: 19438-60-9 · C9H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19438-60-9
- Molecular Formula
- C9H12O3
- Molecular Mass
- 168.19 g/mol
Identifiers
CAS Registry Number
19438-60-9
SMILES
CC1CCC2C(=O)OC(=O)C2C1
InChI Key
FKBMTBAXDISZGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
Names and Synonyms
- Rikacid Mh Common Name
- 1,3-Isobenzofurandione, hexahydro-5-methyl- Synonym
- 1,2-Cyclohexanedicarboxylic anhydride, 4-methyl- Synonym
- Hexahydro-5-methyl-1,3-isobenzofurandione Synonym
- 4-Methyl-1,2-cyclohexanedicarboxylic anhydride Synonym
- Hexahydro-4-methylphthalic anhydride Synonym
- 4-Methylhexahydrophthalic acid anhydride Synonym
- 4-Methylhexahydrophthalic anhydride Synonym
- Rikacid MH Synonym
- WH 700 Synonym
- NSC 128883 Synonym
- HN 7000 Synonym
- Quinhard HH 400 Synonym
- Rikacid MH-T Synonym
- Lindride 52 Synonym
- 1-Methylcyclohexane-4,5-Dicarboxylic anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.19 g/mol | CAS Common Chemistry |
| 168.19199999999998 g/mol | RDKit | |
| 168.192 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.16 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1OC(=O)C2CC(C)CCC12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FKBMTBAXDISZGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -29 °C | CAS Common Chemistry |
| Name | Rikacid MH | 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 |
| 43.37 Ų | RDKit | |
| LogP | 1.1221999999999999 | RDKit |
| 1.1222 | RDKit | |
| Molar Refractivity | 41.09400000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 168.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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Quick conversion
MW = 168.19 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O3.
