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Home Nitros 4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid

4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid

CAS No.:
205985-96-2
Catalog Number:
AG002AFW
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$73
- +
1g
1 week
United States
$106
- +
Product Description
Catalog Number:
AG002AFW
Chemical Name:
4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid
CAS Number:
205985-96-2
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
MDL Number:
MFCD00216499
IUPAC Name:
4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C10H7NO6/c12-4-7(5-13)8-2-1-6(10(14)15)3-9(8)11(16)17/h1-5,7H,(H,14,15)
InChI Key:
VFPWGRRTVZRIRQ-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1[N+](=O)[O-])C(=O)O)C=O
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties