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1305334-93-3 | [1,3'-Bi-1H-pyrrole]-2'-carboxylic acid, ethyl ester
CAS No: 1305334-93-3 Catalog No: AG000ULI MDL No:
Product Description
Catalog Number:
AG000ULI
Chemical Name:
[1,3'-Bi-1H-pyrrole]-2'-carboxylic acid, ethyl ester
CAS Number:
1305334-93-3
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
ethyl 3-pyrrol-1-yl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C11H12N2O2/c1-2-15-11(14)10-9(5-6-12-10)13-7-3-4-8-13/h3-8,12H,2H2,1H3
InChI Key:
VXQCQRAKCCPGQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]ccc1n1cccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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