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Home > Nitro Compounds > 90564-26-4
90564-26-4 | Benzoic acid, 2-methoxy-3-nitro-, methyl ester
CAS No: 90564-26-4 Catalog No: AG00IG7C MDL No:MFCD11045625
Product Description
Catalog Number:
AG00IG7C
Chemical Name:
Benzoic acid, 2-methoxy-3-nitro-, methyl ester
CAS Number:
90564-26-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD11045625
IUPAC Name:
methyl 2-methoxy-3-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-14-8-6(9(11)15-2)4-3-5-7(8)10(12)13/h3-5H,1-2H3
InChI Key:
PDQVHYWBXXTBTM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1OC)[N+](=O)[O-]
Properties
Complexity:
249
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:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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