Compound Summary
Compound Information
59556-17-1
Compound Name: | 59556-17-1 |
Compound CID: | 198382 |
Synonyms: | 59556-17-1 |
Iupac Name: | 5-aminocyclohexa-1,3-diene-1-carboxylic acid;hydrochloride |
InChI: | InChI=1S/C7H9NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-3,6H,4,8H2,(H,9,10);1H |
InChIKey: | OBZFLUDUSNCZKL-UHFFFAOYSA-N |
Canonical Smiles: | C1C(C=CC=C1C(=O)O)N.Cl |
Isomeric Smiles: | C1C(C=CC=C1C(=O)O)N.Cl |
Molecular Weight: | 175.61 |
Molecular Formula: | C7H10ClNO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
59556-17-1
Molecular Weight: | 175.61 |
Molecular Formula: | C7H10ClNO2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 11 |
Complexity: | 206 |
Synonyms
59556-17-1
Experimental Data
59556-17-1
Experimental Data Visualization
59556-17-1
Statistics Data
59556-17-1
Statistics Data Visualization
59556-17-1
