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Home Nitros Isopropyl 2-(3-nitrobenzylidene)acetoacetate

Isopropyl 2-(3-nitrobenzylidene)acetoacetate

CAS No.:
39562-25-9
Catalog Number:
AG003R4J
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
>97%
In Stock USA
United States
$144
- +
25g
>97%
In Stock USA
United States
$283
- +
Product Description
Catalog Number:
AG003R4J
Chemical Name:
Isopropyl 2-(3-nitrobenzylidene)acetoacetate
CAS Number:
39562-25-9
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
MDL Number:
MFCD01234175
IUPAC Name:
propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
InChI:
InChI=1S/C14H15NO5/c1-9(2)20-14(17)13(10(3)16)8-11-5-4-6-12(7-11)15(18)19/h4-9H,1-3H3/b13-8+
InChI Key:
KSZOTXZFYCRWQK-MDWZMJQESA-N
SMILES:
CC(OC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)C)C
EC Number:
609-720-5
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties