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89649-45-6 | 1H-Pyrrole-2-carboxylic acid, 5-ethyl-4-methyl-3-phenyl-, ethyl ester
CAS No: 89649-45-6 Catalog No: AG003VGR MDL No:
Product Description
Catalog Number:
AG003VGR
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-ethyl-4-methyl-3-phenyl-, ethyl ester
CAS Number:
89649-45-6
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
ethyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C16H19NO2/c1-4-13-11(3)14(12-9-7-6-8-10-12)15(17-13)16(18)19-5-2/h6-10,17H,4-5H2,1-3H3
InChI Key:
FSIOSCTTZPKXIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1c1ccccc1)C)CC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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