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Rikacid Mh
CAS: 19438-60-9 | C9H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19438-60-9
Molecular Formula:
C9H12O3
Molecular Mass:
168.19 g/mol
Names and Synonyms:
Rikacid Mh
1,3-Isobenzofurandione, hexahydro-5-methyl-
1,2-Cyclohexanedicarboxylic anhydride, 4-methyl-
Hexahydro-5-methyl-1,3-isobenzofurandione
4-Methyl-1,2-cyclohexanedicarboxylic anhydride
Hexahydro-4-methylphthalic anhydride
4-Methylhexahydrophthalic acid anhydride
4-Methylhexahydrophthalic anhydride
Rikacid MH
WH 700
NSC 128883
HN 7000
Quinhard HH 400
Rikacid MH-T
Lindride 52
1-Methylcyclohexane-4,5-Dicarboxylic anhydride
Identifiers:
SMILES:
CC1CCC2C(=O)OC(=O)C2C1
InChI:
InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
Key Properties
Melting Point
-29 °C
CAS Common Chemistry
Density
1.16 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 | 168.19 g/mol | CAS Common Chemistry |
| 168.19199999999998 g/mol | RDKit | |
| 168.078644244 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 |
| LogP | 1.1221999999999999 | RDKit |
| Molar Refractivity | 41.09400000000001 | RDKit |
