CAS 3179-08-6|CAS 22568-49-6|4-Hydroxy-β-nitrostyrene|4-hydroxy-B-nitrostyrene|4-[(E)-2-nitroethenyl]phenol|2-(4-羟基苯基)硝基乙烯|1-Hydroxy-4-(2-nitrovinyl)benzene|反-4-(2-硝基乙烯基)苯酚|tran...

General Information

Structure

Molecular Formula

C₈H₇NO₃

Molecular Mass

165.14608

Exact Mass

165.04259309

Charge

InChI

InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+

InChIKey

CTJKRKMPTRJAIT-AATRIKPKSA-N

Canonic Smiles

Oc1ccc(cc1)/C=C/[N+](=O)[O-]

Isomeric Smiles

c1(ccc(cc1)O)/C=C/[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

8.475974

H Acceptors

H Donor

LogD (pH = 5.5)

1.8326267

LogD (pH = 7.4)

1.798294

Log P

1.8330827

Molar Refractivity

43.025

Polarizability

16.369694

Polar Surface Area

63.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Hydroxy-β-nitrostyrene2-(4-羟基苯基)硝基乙烯1-Hydroxy-4-(2-nitrovinyl)benzene反-4-(2-硝基乙烯基)苯酚trans-4-Hydroxy-β-nitrostyrenetrans-4-(2-Nitrovinyl)phenol2-(4-Hydroxyphenyl)nitroethene1-羟基-4-(2-硝基乙烯基)苯反-4-羟基-β-硝基苯乙烯4-(2-Nitrovinyl)phenol

IUPAC Traditional name

4-hydroxy-B-nitrostyrene

IUPAC name

4-[(E)-2-nitroethenyl]phenol

Names and Identifiers

Registration numbers

CAS Number

3179-08-622568-49-6

MDL Number

MFCD00060551

PubChem SID

24883050160970307