1-(2-Nitrophenyl)-2-propyn-1-ol - CAS 78725-72-1
Catalog: |
BB036234 |
Product Name: |
1-(2-Nitrophenyl)-2-propyn-1-ol |
CAS: |
78725-72-1 |
Synonyms: |
1-(2-nitrophenyl)-2-propyn-1-ol; 1-(2-nitrophenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(2-nitrophenyl)prop-2-yn-1-ol |
Description: | 1-(2-Nitrophenyl)-2-propyn-1-ol (CAS# 78725-72-1 ) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C#CC(C1=CC=CC=C1[N+](=O)[O-])O |
InChI: | InChI=1S/C9H7NO3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h1,3-6,9,11H |
InChI Key: | GYDUEORDVGUPBU-UHFFFAOYSA-N |
LogP: | 1.78460 |
Publication Number | Title | Priority Date |
CN-110835361-A | Sialic acid glycosyl donor and preparation method and application thereof | 20191021 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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