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Home > Nitro Compounds > 20197-70-0
20197-70-0 | Benzoic acid, 4,5-diethoxy-2-nitro-, methyl ester
CAS No: 20197-70-0 Catalog No: AG0027XP MDL No:MFCD11045623
Product Description
Catalog Number:
AG0027XP
Chemical Name:
Benzoic acid, 4,5-diethoxy-2-nitro-, methyl ester
CAS Number:
20197-70-0
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
MDL Number:
MFCD11045623
IUPAC Name:
methyl 4,5-diethoxy-2-nitrobenzoate
InChI:
InChI=1S/C12H15NO6/c1-4-18-10-6-8(12(14)17-3)9(13(15)16)7-11(10)19-5-2/h6-7H,4-5H2,1-3H3
InChI Key:
OHBKNJJAHBJLAA-UHFFFAOYSA-N
SMILES:
CCOc1cc(C(=O)OC)c(cc1OCC)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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