Home Nitros 2-methoxy-1-(3-nitrophenyl)ethan-1-one

2-methoxy-1-(3-nitrophenyl)ethan-1-one

CAS No.:
33844-30-3
Catalog Number:
AG019XXE
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG019XXE
Chemical Name:
2-methoxy-1-(3-nitrophenyl)ethan-1-one
CAS Number:
33844-30-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD12062680
IUPAC Name:
2-methoxy-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-14-6-9(11)7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
InChI Key:
MRPSGTRUEZQNQL-UHFFFAOYSA-N
SMILES:
COCC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
223  
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties