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Home > Nitro Compounds > 79893-22-4
79893-22-4 | 5-(ethylsulphonyl)-4-nitro-o-anisic acid
CAS No: 79893-22-4 Catalog No: AG00GPCS MDL No:
Product Description
Catalog Number:
AG00GPCS
Chemical Name:
5-(ethylsulphonyl)-4-nitro-o-anisic acid
CAS Number:
79893-22-4
IUPAC Name:
5-ethylsulfonyl-2-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C10H11NO7S/c1-3-19(16,17)9-4-6(10(12)13)8(18-2)5-7(9)11(14)15/h4-5H,3H2,1-2H3,(H,12,13)
InChI Key:
NCMKWHOWUUZOFU-UHFFFAOYSA-N
EC Number:
279-336-7
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.258g/mol
Monoisotopic Mass:
289.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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