1-(3-Nitrophenyl)-2-propyn-1-ol - CAS 83494-25-1
Catalog: |
BB037041 |
Product Name: |
1-(3-Nitrophenyl)-2-propyn-1-ol |
CAS: |
83494-25-1 |
Synonyms: |
1-(3-nitrophenyl)-2-propyn-1-ol; 1-(3-nitrophenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(3-nitrophenyl)prop-2-yn-1-ol |
Description: | 1-(3-Nitrophenyl)-2-propyn-1-ol (CAS# 83494-25-1 ) 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)7-4-3-5-8(6-7)10(12)13/h1,3-6,9,11H |
InChI Key: | WACRSIOBIWTUMX-UHFFFAOYSA-N |
Boiling Point: | 293.1 °C at 760 mmHg |
Density: | 1.335 g/cm3 |
LogP: | 1.78460 |
Publication Number | Title | Priority Date |
US-6313310-B1 | 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles | 19991215 |
US-6242478-B1 | Five member ring sulfenate esters and thiosulfinate esters | 19991210 |
AU-1507600-A | 4- and 5-alkynyloxindoles and 4- and 5-alkenyloxindoles | 19981217 |
CN-1331689-A | 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles | 19981217 |
DE-69912479-T2 | 4- AND 5-ALKYNYLOX INDOLES AND 4- AND 5-ALKENYLOX INDOLES | 19981217 |
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: | 1.5 |
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