CAS 52022-77-2 | 2-(3-Nitrophenyl);ethanol | CAS Number 52022-77-2

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52022-77-2 | 2-(3-Nitrophenyl);ethanol

CAS No: 52022-77-2 Catalog No: AG003JTJ MDL No:MFCD00010445

Product Description

Catalog Number:

AG003JTJ

Chemical Name:

2-(3-Nitrophenyl);ethanol

CAS Number:

52022-77-2

Molecular Formula:

C8H9NO3

Molecular Weight:

167.1620

MDL Number:

MFCD00010445

IUPAC Name:

2-(3-nitrophenyl)ethanol

InChI:

InChI=1S/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2

InChI Key:

PWZWTSYUZQZFKE-UHFFFAOYSA-N

SMILES:

OCCc1cccc(c1)[N+](=O)[O-]

EC Number:

257-611-2

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.164g/mol

Monoisotopic Mass:

167.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte.	International journal of analytical chemistry 20120101
New reagents for increasing ESI multiple charging of proteins and protein complexes.	Journal of the American Society for Mass Spectrometry 20100101