Home Other Building Blocks 1(2H)-Isoquinolinone,2-(2-hydroxyethyl)-(9CI)

1(2H)-Isoquinolinone,2-(2-hydroxyethyl)-(9CI)

CAS No.:
68152-20-5
Catalog Number:
AG00FRW4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG00FRW4
Chemical Name:
1(2H)-Isoquinolinone,2-(2-hydroxyethyl)-(9CI)
CAS Number:
68152-20-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD18804299
IUPAC Name:
2-(2-hydroxyethyl)isoquinolin-1-one
InChI:
InChI=1S/C11H11NO2/c13-8-7-12-6-5-9-3-1-2-4-10(9)11(12)14/h1-6,13H,7-8H2
InChI Key:
NLUJNANYIFGPSK-UHFFFAOYSA-N
SMILES:
OCCn1ccc2c(c1=O)cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties