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Home > Nitro Compounds > 83785-14-2
83785-14-2 | Benzoic acid, 4-(2-methoxy-2-oxoethoxy)-3-nitro-, methyl ester
CAS No: 83785-14-2 Catalog No: AG004SLK MDL No:MFCD02625719
Product Description
Catalog Number:
AG004SLK
Chemical Name:
Benzoic acid, 4-(2-methoxy-2-oxoethoxy)-3-nitro-, methyl ester
CAS Number:
83785-14-2
Molecular Formula:
C11H11NO7
Molecular Weight:
269.2075
MDL Number:
MFCD02625719
IUPAC Name:
methyl 4-(2-methoxy-2-oxoethoxy)-3-nitrobenzoate
InChI:
InChI=1S/C11H11NO7/c1-17-10(13)6-19-9-4-3-7(11(14)18-2)5-8(9)12(15)16/h3-5H,6H2,1-2H3
InChI Key:
OBBJTLAPMLAEFS-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.209g/mol
Monoisotopic Mass:
269.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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