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113859-95-3 | 1H-Pyrrole-3-carboxylic acid, 1,2,4-trimethyl-5-phenyl-, ethyl ester
CAS No: 113859-95-3 Catalog No: AG0009YF MDL No:
Product Description
Catalog Number:
AG0009YF
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1,2,4-trimethyl-5-phenyl-, ethyl ester
CAS Number:
113859-95-3
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
ethyl 1,2,4-trimethyl-5-phenylpyrrole-3-carboxylate
InChI:
InChI=1S/C16H19NO2/c1-5-19-16(18)14-11(2)15(17(4)12(14)3)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3
InChI Key:
WULMEQGFGYSIBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c(c1C)c1ccccc1)C
Properties
Complexity:
312
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:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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