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146257-00-3 | 1H-Pyrrole-1,3-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 146257-00-3 Catalog No: AG001DTA MDL No:MFCD11973978
Product Description
Catalog Number:
AG001DTA
Chemical Name:
1H-Pyrrole-1,3-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
146257-00-3
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD11973978
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 2,5-dihydropyrrole-1,3-dicarboxylate
InChI:
InChI=1S/C12H19NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChI Key:
HOOXYTICVUYNKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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