NCM
Summary
Name: | NORCAMPHOR |
Formula: | C7 H10 O |
Formal charge: | 0 |
Formula weight: | 110.154 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1R,4S)-bicyclo[2.2.1]heptan-2-one |
OpenEye OEToolkits | 1.5.0 | (1R,4S)-bicyclo[2.2.1]heptan-6-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1CC2CC1CC2 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C1C[C@H]2CC[C@@H]1C2 |
SMILES | CACTVS | 3.341 | O=C1C[CH]2CC[CH]1C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H]2C[C@H]1CC2=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2CC1CC2=O |
InChI | InChI | 1.03 | InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1 |
InChIKey | InChI | 1.03 | KPMKEVXVVHNIEY-NTSWFWBYSA-N |