0L1
Summary
Name: | hexanedioic acid |
Synonyms: | Adipic acid |
Formula: | C6 H10 O4 |
Formal charge: | 0 |
Formula weight: | 146.141 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | hexanedioic acid |
OpenEye OEToolkits | 1.7.6 | hexanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
InChIKey | InChI | 1.03 | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCCCC(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)CCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCC(=O)O)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CCC(=O)O)CC(=O)O |