Home Nitros Benzoic acid, 4-ethoxy-3-nitro-

Benzoic acid, 4-ethoxy-3-nitro-

CAS No.:
59719-77-6
Catalog Number:
AG00IALG
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
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Product Description
Catalog Number:
AG00IALG
Chemical Name:
Benzoic acid, 4-ethoxy-3-nitro-
CAS Number:
59719-77-6
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD01143607
IUPAC Name:
4-ethoxy-3-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
GZHXYRWGRKIXEJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])C(=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:
1.9  
Properties