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5081-42-5 | Methyl 3,4,5-trimethoxy-2-nitrobenzoate
CAS No: 5081-42-5 Catalog No: AG003ROW MDL No:MFCD00007097
Product Description
Catalog Number:
AG003ROW
Chemical Name:
Methyl 3,4,5-trimethoxy-2-nitrobenzoate
CAS Number:
5081-42-5
Molecular Formula:
C11H13NO7
Molecular Weight:
271.2234
MDL Number:
MFCD00007097
IUPAC Name:
methyl 3,4,5-trimethoxy-2-nitrobenzoate
InChI:
InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3
InChI Key:
HCEIEWYPDCDNNU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
EC Number:
225-794-8
NSC Number:
20282
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.225g/mol
Monoisotopic Mass:
271.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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