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87087-28-3 | 3-(ISOQUINOLIN-5-YL)PROPIONIC ACID
CAS No: 87087-28-3 Catalog No: AG00GRKJ MDL No:
Product Description
Catalog Number:
AG00GRKJ
Chemical Name:
3-(ISOQUINOLIN-5-YL)PROPIONIC ACID
CAS Number:
87087-28-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
3-isoquinolin-5-ylpropanoic acid
InChI:
InChI=1S/C12H11NO2/c14-12(15)5-4-9-2-1-3-10-8-13-7-6-11(9)10/h1-3,6-8H,4-5H2,(H,14,15)
InChI Key:
GYSUKDLKXFFECG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc2c1ccnc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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