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Home > Nitro Compounds > 1401423-31-1
1401423-31-1 | 5-METHOXY-2-METHYL-4-NITROBENZOIC ACID
CAS No: 1401423-31-1 Catalog No: AG00HVQZ MDL No:
Product Description
Catalog Number:
AG00HVQZ
Chemical Name:
5-METHOXY-2-METHYL-4-NITROBENZOIC ACID
CAS Number:
1401423-31-1
IUPAC Name:
5-methoxy-2-methyl-4-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-3-7(10(13)14)8(15-2)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZGKYHGDVUJUNOW-UHFFFAOYSA-N
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
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