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Camphoric Acid
CAS: 560-09-8 | C10H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
560-09-8
Molecular Formula:
C10H16O4
Molecular Mass:
200.23 g/mol
Names and Synonyms:
Camphoric Acid
1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S,3R)-
Camphoric acid, cis-(-)-
1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S-cis)-
(1S,3R)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
(-)-cis-Camphoric acid
(-)-Camphoric acid
(1S,3R)-(-)-Camphoric acid
(1S,3R)-Camphoric acid
L-Camphoric acid
l-Camphoric acid
(1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid
Identifiers:
SMILES:
CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O
InChI:
InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1
Key Properties
Melting Point
181-182 °C
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 | 200.23 g/mol | CAS Common Chemistry |
| 200.23399999999998 g/mol | RDKit | |
| 200.104858992 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Camphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1CCC(C(=O)O)(C)C1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LSPHULWDVZXLIL-QUBYGPBYSA-N | CAS Common Chemistry |
| Melting Point | 181-182 °C | CAS Common Chemistry |
| Name | (1S,3R)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid | CAS Common Chemistry |
| Camphoric acid | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 1.5981 | RDKit |
| Molar Refractivity | 49.88360000000003 | RDKit |
