Home Aminos 4-amino-5-nitro-o-anisic acid

4-amino-5-nitro-o-anisic acid

CAS No.:
59338-90-8
Catalog Number:
AG00ELW1
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
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Product Description
Catalog Number:
AG00ELW1
Chemical Name:
4-amino-5-nitro-o-anisic acid
CAS Number:
59338-90-8
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD09908199
IUPAC Name:
4-amino-2-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,9H2,1H3,(H,11,12)
InChI Key:
AOANPIGDKLHHIC-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)O)[N+](=O)[O-]
EC Number:
261-706-4
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties