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156628-65-8 | 1H-Pyrrole-2-carboxylic acid, 4-butyl-3-methyl-, ethyl ester
CAS No: 156628-65-8 Catalog No: AG001OVG MDL No:
Product Description
Catalog Number:
AG001OVG
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-butyl-3-methyl-, ethyl ester
CAS Number:
156628-65-8
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
ethyl 4-butyl-3-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H19NO2/c1-4-6-7-10-8-13-11(9(10)3)12(14)15-5-2/h8,13H,4-7H2,1-3H3
InChI Key:
IWGOSTYWEZXRLC-UHFFFAOYSA-N
SMILES:
CCCCc1c[nH]c(c1C)C(=O)OCC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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