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866393-52-4

866393-52-4 | 8-Indolizinecarboxylicacid, 1,2,3,5-tetrahydro-6-hydroxy-7-(1-methyl-2-propen-1-yl)-5-oxo-, methylester

CAS No: 866393-52-4 Catalog No: AG004KXX MDL No:

Product Description

Catalog Number:
AG004KXX
Chemical Name:
8-Indolizinecarboxylicacid, 1,2,3,5-tetrahydro-6-hydroxy-7-(1-methyl-2-propen-1-yl)-5-oxo-, methylester
CAS Number:
866393-52-4
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
methyl 7-but-3-en-2-yl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
InChI:
InChI=1S/C14H17NO4/c1-4-8(2)10-11(14(18)19-3)9-6-5-7-15(9)13(17)12(10)16/h4,8,16H,1,5-7H2,2-3H3
InChI Key:
STGDYOYYKACPQU-UHFFFAOYSA-N
SMILES:
C=CC(c1c(C(=O)OC)c2CCCn2c(=O)c1O)C

Properties

Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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