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89330-92-7 | 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-(4-nitrophenyl)-, trimethyl ester
CAS No: 89330-92-7 Catalog No: AG003ZK6 MDL No:
Product Description
Catalog Number:
AG003ZK6
Chemical Name:
1H-Pyrrole-2,3,4-tricarboxylic acid, 5-(4-nitrophenyl)-, trimethyl ester
CAS Number:
89330-92-7
Molecular Formula:
C16H14N2O8
Molecular Weight:
362.2910
IUPAC Name:
trimethyl 5-(4-nitrophenyl)-1H-pyrrole-2,3,4-tricarboxylate
InChI:
InChI=1S/C16H14N2O8/c1-24-14(19)10-11(15(20)25-2)13(16(21)26-3)17-12(10)8-4-6-9(7-5-8)18(22)23/h4-7,17H,1-3H3
InChI Key:
ZBAVVYXLVUQSMR-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c(c(c1C(=O)OC)C(=O)OC)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.294g/mol
Monoisotopic Mass:
362.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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