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162151-94-2 | 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, 3,4-dimethyl ester
CAS No: 162151-94-2 Catalog No: AG001SSQ MDL No:
Product Description
Catalog Number:
AG001SSQ
Chemical Name:
1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, 3,4-dimethyl ester
CAS Number:
162151-94-2
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
dimethyl 1-butyl-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
InChI:
InChI=1S/C19H23NO4/c1-5-6-12-20-13(2)15(18(21)23-3)16(19(22)24-4)17(20)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3
InChI Key:
ZWDUMKJFZANDEY-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)c(c(c1c1ccccc1)C(=O)OC)C(=O)OC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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