Home Other Building Blocks 2-(isoquinolin-4-yl)acetic acid hydrochloride

2-(isoquinolin-4-yl)acetic acid hydrochloride

CAS No.:
53366-30-6
Catalog Number:
AG01B5J0
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
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Product Description
Catalog Number:
AG01B5J0
Chemical Name:
2-(isoquinolin-4-yl)acetic acid hydrochloride
CAS Number:
53366-30-6
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD30181104
IUPAC Name:
2-isoquinolin-4-ylacetic acid;hydrochloride
InChI:
InChI=1S/C11H9NO2.ClH/c13-11(14)5-9-7-12-6-8-3-1-2-4-10(8)9;/h1-4,6-7H,5H2,(H,13,14);1H
InChI Key:
KCAQWNKLRHEAMQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncc2c1cccc2.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties