Home Nitros 5-ethoxy-2-nitrobenzoic acid

5-ethoxy-2-nitrobenzoic acid

CAS No.:
78361-06-5
Catalog Number:
AG01B977
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
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Product Description
Catalog Number:
AG01B977
Chemical Name:
5-ethoxy-2-nitrobenzoic acid
CAS Number:
78361-06-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD09736050
IUPAC Name:
5-ethoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-6-3-4-8(10(13)14)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
VMMWCLBSFKXENH-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties