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Molecule
(-)-Camphor
CAS: 464-48-2 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 464-48-2
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
464-48-2
SMILES
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
InChI Key
DSSYKIVIOFKYAU-OIBJUYFYSA-N
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
Names and Synonyms
- (-)-Camphor Common Name
- Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4S)- Synonym
- Camphor, (1S,4S)-(-)- Synonym
- Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)- Synonym
- (1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one Synonym
- l-Camphor Synonym
- (-)-Camphor Synonym
- (-)-Alcanfor Synonym
- (1S)-(-)-Camphor Synonym
- (1S)-Camphor Synonym
- (1S,4S)-(-)-Camphor Synonym
- NSC 26351 Synonym
- (S)-(-)-Camphor Synonym
- (1S)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone Synonym
- (1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.237 g/mol | RDKit | |
| Canonical SMILES | O=C1CC2CCC1(C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DSSYKIVIOFKYAU-OIBJUYFYSA-N | CAS Common Chemistry |
| Melting Point | 175-178 °C | CAS Common Chemistry |
| Name | (-)-Camphor | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.401700000000001 | RDKit |
| 2.4017 | RDKit | |
| Molar Refractivity | 44.23600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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 = 152.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.