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89021-20-5

89021-20-5 | 1-Indolizinecarboxylic acid, 3-formyl-2-methyl-, ethyl ester

CAS No: 89021-20-5 Catalog No: AG0044CX MDL No:

Product Description

Catalog Number:
AG0044CX
Chemical Name:
1-Indolizinecarboxylic acid, 3-formyl-2-methyl-, ethyl ester
CAS Number:
89021-20-5
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 3-formyl-2-methylindolizine-1-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-17-13(16)12-9(2)11(8-15)14-7-5-4-6-10(12)14/h4-8H,3H2,1-2H3
InChI Key:
VIBNPYRMDZTIKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c2ccccn2c(c1C)C=O

Properties

Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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