Home Other Building Blocks 4-Nitrobenzyl acetoacetate

4-Nitrobenzyl acetoacetate

CAS No.:
61312-84-3
Catalog Number:
AG003BWK
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$33
- +
5g
98%(HPLC)
In Stock USA
United States
$36
- +
25g
98%(HPLC)
In Stock USA
United States
$44
- +
100g
98%(HPLC)
In Stock USA
United States
$82
- +
Product Description
Catalog Number:
AG003BWK
Chemical Name:
4-Nitrobenzyl acetoacetate
CAS Number:
61312-84-3
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD00799237
IUPAC Name:
(4-nitrophenyl)methyl 3-oxobutanoate
InChI:
InChI=1S/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3
InChI Key:
KQPGVCMZXFBYMM-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
EC Number:
612-114-3
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties