6,7,8-Trihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 6,7,8-Trihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• CAS No.: 756427-84-6
• Molecular Formula: C10H11 N O5
• Molecular Weight: 225.19804
• DSSTox Substance ID: DTXSID90539793
• Mol file: 756427-84-6.mol

Synonyms:756427-84-6;6,7,8-Trihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;DTXSID90539793;3-isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6,7,8-trihydroxy-

Chemical Property of 6,7,8-Trihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Chemical Property:

• PSA: 110.02000
• LogP: 0.23110
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.06372245
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NCC2=C(C(=C(C=C21)O)O)O)C(=O)O

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