Home Nitros 3-Methoxy-4-methyl-2-nitrobenzoic acid

3-Methoxy-4-methyl-2-nitrobenzoic acid

CAS No.:
57281-77-3
Catalog Number:
AG00EKAX
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
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Product Description
Catalog Number:
AG00EKAX
Chemical Name:
3-Methoxy-4-methyl-2-nitrobenzoic acid
CAS Number:
57281-77-3
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
3-methoxy-4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-3-4-6(9(11)12)7(10(13)14)8(5)15-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
PJEQOQBIFDMSON-UHFFFAOYSA-N
SMILES:
COc1c(C)ccc(c1[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