Home Nitros 3-Ethyl-2-nitrobenzoic acid

3-Ethyl-2-nitrobenzoic acid

CAS No.:
35193-44-3
Catalog Number:
AG01DX8F
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01DX8F
Chemical Name:
3-Ethyl-2-nitrobenzoic acid
CAS Number:
35193-44-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD28356989
IUPAC Name:
3-ethyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-2-6-4-3-5-7(9(11)12)8(6)10(13)14/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
JFOWATROJMCOHF-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1[N+](=O)[O-])C(=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:
2.1  
Properties