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16200-50-3

16200-50-3 | 1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-5-methyl-, ethyl ester

CAS No: 16200-50-3 Catalog No: AG001SLQ MDL No:MFCD00075089

Product Description

Catalog Number:
AG001SLQ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-5-methyl-, ethyl ester
CAS Number:
16200-50-3
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD00075089
IUPAC Name:
ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H19NO2/c1-5-9-8(4)13-11(10(9)6-2)12(14)15-7-3/h13H,5-7H2,1-4H3
InChI Key:
YXAABSBFWADBRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1CC)CC)C

Properties

Complexity:
218  
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:
5  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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