1-(4-Nitrophenyl)-2-propyn-1-ol - CAS 78725-73-2

Catalog:	BB036235
Product Name:	1-(4-Nitrophenyl)-2-propyn-1-ol
CAS:	78725-73-2
Synonyms:	1-(4-nitrophenyl)-2-propyn-1-ol; 1-(4-nitrophenyl)prop-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	1-(4-nitrophenyl)prop-2-yn-1-ol
Description:	1-(4-Nitrophenyl)-2-propyn-1-ol (CAS# 78725-73-2 ) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	C#CC(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI:	InChI=1S/C9H7NO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h1,3-6,9,11H
InChI Key:	PDUTVNAUVBKDTF-UHFFFAOYSA-N
Boiling Point:	318.4 °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
JP-2001120297-A	Production of optically active unsaturated secondary alcohols by enzymes	19991029
AU-1507600-A	4- and 5-alkynyloxindoles and 4- and 5-alkenyloxindoles	19981217
AU-771599-B2	4- and 5-alkynyloxindoles and 4- and 5-alkenyloxindoles	19981217
CN-1331689-A	4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles	19981217

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Complexity:	229
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