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143247-54-5

143247-54-5 | Decanoic acid, 7-isoquinolinyl ester

CAS No: 143247-54-5 Catalog No: AG007KBH MDL No:

Product Description

Catalog Number:
AG007KBH
Chemical Name:
Decanoic acid, 7-isoquinolinyl ester
CAS Number:
143247-54-5
Molecular Formula:
C19H25NO2
Molecular Weight:
299.4073
IUPAC Name:
isoquinolin-7-yl decanoate
InChI:
InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-19(21)22-18-11-10-16-12-13-20-15-17(16)14-18/h10-15H,2-9H2,1H3
InChI Key:
DBPBCZAYDLYCMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Oc1ccc2c(c1)cncc2

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.189g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.414g/mol
Monoisotopic Mass:
299.189g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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