SHV
Summary
Name: | HEPTANOIC ACID |
Formula: | C7 H14 O2 |
Formal charge: | 0 |
Formula weight: | 130.185 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | heptanoic acid |
OpenEye OEToolkits | 1.7.6 | heptanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCC |
InChI | InChI | 1.03 | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
InChIKey | InChI | 1.03 | MNWFXJYAOYHMED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(O)=O |
SMILES | CACTVS | 3.385 | CCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC(=O)O |