4-Aminoindole-3-carboxylic Acid - CAS 889941-55-3
Catalog: |
BB039301 |
Product Name: |
4-Aminoindole-3-carboxylic Acid |
CAS: |
889941-55-3 |
Synonyms: |
4-amino-1H-indole-3-carboxylic acid; 4-amino-1H-indole-3-carboxylic acid |
IUPAC Name: | 4-amino-1H-indole-3-carboxylic acid |
Description: | 4-Aminoindole-3-carboxylic Acid (CAS# 889941-55-3) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)N)C(=CN2)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,10H2,(H,12,13) |
InChI Key: | QPDGZZOFNGYZEM-UHFFFAOYSA-N |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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