Home Nitros 1-(2-hydroxy-5-nitrophenyl)propan-1-one

1-(2-hydroxy-5-nitrophenyl)propan-1-one

CAS No.:
55805-95-3
Catalog Number:
AG00DLPN
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG00DLPN
Chemical Name:
1-(2-hydroxy-5-nitrophenyl)propan-1-one
CAS Number:
55805-95-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00218587
IUPAC Name:
1-(2-hydroxy-5-nitrophenyl)propan-1-one
InChI:
InChI=1S/C9H9NO4/c1-2-8(11)7-5-6(10(13)14)3-4-9(7)12/h3-5,12H,2H2,1H3
InChI Key:
XNYKMZXGGPYALK-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(ccc1O)[N+](=O)[O-]
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties