Home Nitros Alpha-ethyl-3-nitrocinnamic acid

Alpha-ethyl-3-nitrocinnamic acid

CAS No.:
124525-55-9
Catalog Number:
AG000M5M
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$155
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Product Description
Catalog Number:
AG000M5M
Chemical Name:
Alpha-ethyl-3-nitrocinnamic acid
CAS Number:
124525-55-9
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00134948
IUPAC Name:
(2E)-2-[(3-nitrophenyl)methylidene]butanoic acid
InChI:
InChI=1S/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-6+
InChI Key:
QMUHBYNLXQHZNR-RMKNXTFCSA-N
SMILES:
CC/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)O
EC Number:
226-054-7
NSC Number:
163918
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties