3-Amino-5-hydroxybenzonitrile - CAS 1243444-99-6
Catalog: |
BB074710 |
Product Name: |
3-Amino-5-hydroxybenzonitrile |
CAS: |
1243444-99-6 |
Synonyms: |
3-Amino-5-hydroxybenzonitrile; 3-CYANO-5-HYDROXYANILINE |
IUPAC Name: | 3-amino-5-hydroxybenzonitrile |
Description: | 3-Amino-5-hydroxybenzonitrile |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | C1=C(C=C(C=C1N)O)C#N |
InChI: | InChI=1S/C7H6N2O/c8-4-5-1-6(9)3-7(10)2-5/h1-3,10H,9H2 |
InChI Key: | FCYINOGGOHJKBT-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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