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Home > Nitro Compounds > 858848-07-4
858848-07-4 | Benzoic acid, 2-methoxy-5-methyl-3-nitro-
CAS No: 858848-07-4 Catalog No: AG004QRK MDL No:
Product Description
Catalog Number:
AG004QRK
Chemical Name:
Benzoic acid, 2-methoxy-5-methyl-3-nitro-
CAS Number:
858848-07-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2-methoxy-5-methyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI Key:
KJPNRXSFTKTXSH-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1[N+](=O)[O-])C)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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