Home Nitros 3-(5-methyl-2-nitrophenoxy)propanoic acid

3-(5-methyl-2-nitrophenoxy)propanoic acid

CAS No.:
1016865-66-9
Catalog Number:
AG019MVX
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
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Product Description
Catalog Number:
AG019MVX
Chemical Name:
3-(5-methyl-2-nitrophenoxy)propanoic acid
CAS Number:
1016865-66-9
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD09948263
IUPAC Name:
3-(5-methyl-2-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C10H11NO5/c1-7-2-3-8(11(14)15)9(6-7)16-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChI Key:
YPGHSCYRNRGHAJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cc(C)ccc1[N+](=O)[O-]
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties