Home Nitros 4-(2-nitrophenyl)-2-oxobut-3-enoic acid

4-(2-nitrophenyl)-2-oxobut-3-enoic acid

CAS No.:
72323-79-6
Catalog Number:
AG01BE6C
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
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Product Description
Catalog Number:
AG01BE6C
Chemical Name:
4-(2-nitrophenyl)-2-oxobut-3-enoic acid
CAS Number:
72323-79-6
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
MDL Number:
MFCD18431833
IUPAC Name:
4-(2-nitrophenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C10H7NO5/c12-9(10(13)14)6-5-7-3-1-2-4-8(7)11(15)16/h1-6H,(H,13,14)
InChI Key:
LRFVOEZZTNHKES-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)C=Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.4  
Properties