Home Nitriles 4-Methoxycinnamonitrile, mixture cis and trans

4-Methoxycinnamonitrile, mixture cis and trans

CAS No.:
28446-68-6
Catalog Number:
AG00BBRB
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG00BBRB
Chemical Name:
4-Methoxycinnamonitrile, mixture cis and trans
CAS Number:
28446-68-6
MDL Number:
MFCD00001934
IUPAC Name:
(E)-3-(4-methoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3/b3-2+
InChI Key:
CNBCNHHPIBKYBO-NSCUHMNNSA-N
EC Number:
249-022-4
NSC Number:
379284
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties