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1309955-20-1

1309955-20-1 | 1(2H)-Isoquinolinone, 6-ethynyl-3,4-dihydro-

CAS No: 1309955-20-1 Catalog No: AG000V85 MDL No:

Product Description

Catalog Number:
AG000V85
Chemical Name:
1(2H)-Isoquinolinone, 6-ethynyl-3,4-dihydro-
CAS Number:
1309955-20-1
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
6-ethynyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H9NO/c1-2-8-3-4-10-9(7-8)5-6-12-11(10)13/h1,3-4,7H,5-6H2,(H,12,13)
InChI Key:
FQBODSWDTZFTRJ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)CCNC2=O

Properties

Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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