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89021-21-6 | 1-Indolizinecarboxylic acid, 2-ethyl-3-formyl-, ethyl ester
CAS No: 89021-21-6 Catalog No: AG0044CW MDL No:
Product Description
Catalog Number:
AG0044CW
Chemical Name:
1-Indolizinecarboxylic acid, 2-ethyl-3-formyl-, ethyl ester
CAS Number:
89021-21-6
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
ethyl 2-ethyl-3-formylindolizine-1-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-3-10-12(9-16)15-8-6-5-7-11(15)13(10)14(17)18-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
PKIPZUNDVMKMJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c2ccccn2c(c1CC)C=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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