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89649-56-9 | 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3,4-dimethyl-, ethyl ester
CAS No: 89649-56-9 Catalog No: AG003VJF MDL No:
Product Description
Catalog Number:
AG003VJF
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-ethyl-3,4-dimethyl-, ethyl ester
CAS Number:
89649-56-9
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C11H17NO2/c1-5-9-7(3)8(4)10(12-9)11(13)14-6-2/h12H,5-6H2,1-4H3
InChI Key:
XTGCFITUYYAJAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)C)CC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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