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89378-39-2 | 1H-Pyrrole-1,2-dicarboxylic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)2-ethyl ester
CAS No: 89378-39-2 Catalog No: AG003WBY MDL No:
Product Description
Catalog Number:
AG003WBY
Chemical Name:
1H-Pyrrole-1,2-dicarboxylic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)2-ethyl ester
CAS Number:
89378-39-2
Molecular Formula:
C14H20NO4-
Molecular Weight:
266.3129
IUPAC Name:
1-(3,3-dimethylbutoxycarbonyl)-3,5-dimethylpyrrole-2-carboxylate
InChI:
InChI=1S/C14H21NO4/c1-9-8-10(2)15(11(9)12(16)17)13(18)19-7-6-14(3,4)5/h8H,6-7H2,1-5H3,(H,16,17)/p-1
InChI Key:
KJBXVOQGGOXQMG-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1c(C)cc(n1C(=O)OCCC(C)(C)C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.139g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.317g/mol
Monoisotopic Mass:
266.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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