Home Nitros 3-methoxy-4-methyl-5-nitrobenzoic acid

3-methoxy-4-methyl-5-nitrobenzoic acid

CAS No.:
1002110-78-2
Catalog Number:
AG01ADDQ
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ADDQ
Chemical Name:
3-methoxy-4-methyl-5-nitrobenzoic acid
CAS Number:
1002110-78-2
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD16069365
IUPAC Name:
3-methoxy-4-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-7(10(13)14)3-6(9(11)12)4-8(5)15-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
JZBPCFNVEBZSTB-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C)[N+](=O)[O-])C(=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:
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:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties