3-(4-Aminophenyl)prop-2-yn-1-ol - CAS 253167-82-7
Catalog: |
BB075345 |
Product Name: |
3-(4-Aminophenyl)prop-2-yn-1-ol |
CAS: |
253167-82-7 |
Synonyms: |
3-(4-aminophenyl)prop-2-yn-1-ol; 3-(4-AMINOPHENYL)-2-PROPYN-1-OL |
IUPAC Name: | 3-(4-aminophenyl)prop-2-yn-1-ol |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | C1=CC(=CC=C1C#CCO)N |
InChI: | InChI=1S/C9H9NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7,10H2 |
InChI Key: | XANNFDGZXZOZCG-UHFFFAOYSA-N |
Melting Point: | 84-86 °C (lit.) |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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