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16206-31-8 | 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester
CAS No: 16206-31-8 Catalog No: AG001SOT MDL No:
Product Description
Catalog Number:
AG001SOT
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester
CAS Number:
16206-31-8
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
ethyl 2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C15H17NO2/c1-4-18-15(17)14-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3
InChI Key:
ZCNBRDSMDNYLAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]c(c1c1ccccc1)C
NSC Number:
156124
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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