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1260827-11-9 | 1H-Pyrrole-3-carboxylic acid, 4-ethyl-, methyl ester
CAS No: 1260827-11-9 Catalog No: AG000RE5 MDL No:
Product Description
Catalog Number:
AG000RE5
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-ethyl-, methyl ester
CAS Number:
1260827-11-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
methyl 4-ethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-3-6-4-9-5-7(6)8(10)11-2/h4-5,9H,3H2,1-2H3
InChI Key:
UNZOBACLACMSCV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cc1CC
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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