Home Nitros 2-(2-Methyl-6-nitrophenyl)acetic acid

2-(2-Methyl-6-nitrophenyl)acetic acid

CAS No.:
23876-18-8
Catalog Number:
AG006U50
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG006U50
Chemical Name:
2-(2-Methyl-6-nitrophenyl)acetic acid
CAS Number:
23876-18-8
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00066313
IUPAC Name:
2-(2-methyl-6-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H9NO4/c1-6-3-2-4-8(10(13)14)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
WFKNETIJXXWRHO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)cccc1[N+](=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:
1.9  
Properties