Home Nitriles 4-Hydroxyphenylacetonitrile

4-Hydroxyphenylacetonitrile

CAS No.:
14191-95-8
Catalog Number:
AG001HD8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$69
- +
500g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG001HD8
Chemical Name:
4-Hydroxyphenylacetonitrile
CAS Number:
14191-95-8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00002383
IUPAC Name:
2-(4-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChI Key:
AYKYOOPFBCOXSL-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)O
EC Number:
238-046-0
UNII:
18Q5J224RM
NSC Number:
76080
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
2-(4-Hy-droxy-phen-yl)-3-(trimethyl-sil-yl)propanaminium chloride. Acta crystallographica. Section E, Structure reports online 20111001
Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles. Chemistry & biodiversity 20110601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Novel phenolic glycosides, adenophorasides A-E, from Adenophora roots. Journal of natural medicines 20100701
Design of group IIA secreted/synovial phospholipase A(2) inhibitors: an oxadiazolone derivative suppresses chondrocyte prostaglandin E(2) secretion. PloS one 20100101
Sinapis phylogeny and evolution of glucosinolates and specific nitrile degrading enzymes. Phytochemistry 20081201
A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [(99m)Tc(CO)(3)](+) or [(186/188)Re(CO)(3)](+) in CN containing biomolecules. Nuclear medicine and biology 20081001
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Host plant-dependent metabolism of 4-hydroxybenzylglucosinolate in Pieris rapae: substrate specificity and effects of genetic modification and plant nitrile hydratase. Insect biochemistry and molecular biology 20071101
[Study on intermediate products in chloroform formation from L-tyrosine treated with sodium hypochlorite]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20070801
Antioxidants from rape (Brassica campestris vir. Japonica Hara) oil cake. Natural product research 20040601
Properties