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Molecule
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
Identifiers
CAS Registry Number
560-09-8
SMILES
CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O
InChI Key
LSPHULWDVZXLIL-QUBYGPBYSA-N
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
Names and Synonyms
- Camphoric Acid Synonym
- 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S,3R)- Synonym
- Camphoric acid, cis-(-)- Synonym
- 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S-cis)- Synonym
- (1S,3R)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid Synonym
- (-)-cis-Camphoric acid Synonym
- (-)-Camphoric acid Synonym
- (1S,3R)-(-)-Camphoric acid Synonym
- (1S,3R)-Camphoric acid Synonym
- L-Camphoric acid Synonym
- l-Camphoric acid Synonym
- (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.23 g/mol | CAS Common Chemistry |
| 200.23399999999998 g/mol | RDKit | |
| 200.234 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 200.104858992 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 = 200.23 g/mol. Edit any field — others recompute live.
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