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192326-77-5 | 2H-Pyrrole-3,4,5-tricarboxylic acid, 2,2-dimethyl-, 3,4,5-trimethyl ester
CAS No: 192326-77-5 Catalog No: AG002FUU MDL No:
Product Description
Catalog Number:
AG002FUU
Chemical Name:
2H-Pyrrole-3,4,5-tricarboxylic acid, 2,2-dimethyl-, 3,4,5-trimethyl ester
CAS Number:
192326-77-5
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
IUPAC Name:
trimethyl 5,5-dimethylpyrrole-2,3,4-tricarboxylate
InChI:
InChI=1S/C12H15NO6/c1-12(2)7(10(15)18-4)6(9(14)17-3)8(13-12)11(16)19-5/h1-5H3
InChI Key:
VDMOKVQCMIOUIY-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NC(C(=C1C(=O)OC)C(=O)OC)(C)C
Properties
Complexity:
500
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:
7
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:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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