Home Nitros 1-(4-hydroxy-3-nitrophenyl)propan-2-one

1-(4-hydroxy-3-nitrophenyl)propan-2-one

CAS No.:
1314934-53-6
Catalog Number:
AG01DULT
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01DULT
Chemical Name:
1-(4-hydroxy-3-nitrophenyl)propan-2-one
CAS Number:
1314934-53-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD03410478
IUPAC Name:
1-(4-hydroxy-3-nitrophenyl)propan-2-one
InChI:
InChI=1S/C9H9NO4/c1-6(11)4-7-2-3-9(12)8(5-7)10(13)14/h2-3,5,12H,4H2,1H3
InChI Key:
UVSAMVQTNCJZGI-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(c(c1)[N+](=O)[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:
1.6  
Properties