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100055-99-0 | 2H-Pyrrole-2,2-dicarboxylic acid, 3,4-dihydro-5-methyl-, 2,2-diethyl ester
CAS No: 100055-99-0 Catalog No: AG0000QP MDL No:
Product Description
Catalog Number:
AG0000QP
Chemical Name:
2H-Pyrrole-2,2-dicarboxylic acid, 3,4-dihydro-5-methyl-, 2,2-diethyl ester
CAS Number:
100055-99-0
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
diethyl 5-methyl-3,4-dihydropyrrole-2,2-dicarboxylate
InChI:
InChI=1S/C11H17NO4/c1-4-15-9(13)11(10(14)16-5-2)7-6-8(3)12-11/h4-7H2,1-3H3
InChI Key:
UPIUTSHJPWMGLD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(=N1)C)C(=O)OCC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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