Home Other Building Blocks 3-Cyanocinnamic acid

3-Cyanocinnamic acid

CAS No.:
16642-93-6
Catalog Number:
AG001WQG
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$182
- +
10g
97%
In Stock USA
United States
$307
- +
25g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG001WQG
Chemical Name:
3-Cyanocinnamic acid
CAS Number:
16642-93-6
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00182407
IUPAC Name:
(E)-3-(3-cyanophenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/b5-4+
InChI Key:
WEYFZKRRQZYAJI-SNAWJCMRSA-N
SMILES:
N#Cc1cccc(c1)/C=C/C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties