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Home > Nitro Compounds > 859034-50-7
859034-50-7 | 3-Isobutoxy-4-nitrobenzoic acid
CAS No: 859034-50-7 Catalog No: AG00IDTA MDL No:
Product Description
Catalog Number:
AG00IDTA
Chemical Name:
3-Isobutoxy-4-nitrobenzoic acid
CAS Number:
859034-50-7
IUPAC Name:
3-(2-methylpropoxy)-4-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO5/c1-7(2)6-17-10-5-8(11(13)14)3-4-9(10)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
OFVWCLJLGYDWJZ-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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