N-(3-Hydroxy-4-nitrosophenyl)acetamide - CAS 58416-47-0

Catalog:	BB056236
Product Name:	N-(3-Hydroxy-4-nitrosophenyl)acetamide
CAS:	58416-47-0
Synonyms:	3'-Hydroxy-4'-nitroso-acetanilide

Technical Data

IUPAC Name:	N-(3-hydroxy-4-nitrosophenyl)acetamide
Description:	N-(3-Hydroxy-4-nitrosophenyl)acetamide is an intermediate in the synthesis of 9-Amino-6,8-di-1,3,2-dithiarsolan-2-yl-5H-benzo[a]phenoxazin-5-one, which is a new environment-sensitive fluorescent probe designed for site-specific labeling of recombinant proteins in live cells.
Molecular Weight:	180.16
Molecular Formula:	C8H8N2O3
Canonical SMILES:	CC(=O)NC1=CC(=C(C=C1)N=O)O
InChI:	InChI=1S/C8H8N2O3/c1-5(11)9-6-2-3-7(10-13)8(12)4-6/h2-4,12H,1H3,(H,9,11)
InChI Key:	PZRXLUGKKUCWBM-UHFFFAOYSA-N
Solubility:	Dichloromethane Dimethylsulfoxide, Methanol
Appearance:	Orange Solid
Storage:	-20°C Freezer
References:	Nakanishi, J., et al. Analy. Chem., 73, 2920 (2001).

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05349212
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7