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Home > Nitro Compounds > 1002110-78-2
1002110-78-2 | 3-methoxy-4-methyl-5-nitrobenzoic acid
CAS No: 1002110-78-2 Catalog No: AG01ADDQ MDL No:MFCD16069365
Product Description
Catalog Number:
AG01ADDQ
Chemical Name:
3-methoxy-4-methyl-5-nitrobenzoic acid
CAS Number:
1002110-78-2
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD16069365
IUPAC Name:
3-methoxy-4-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-7(10(13)14)3-6(9(11)12)4-8(5)15-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
JZBPCFNVEBZSTB-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C)[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
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