Home Other Building Blocks methyl 2-(isoquinolin-1-yl)propanoate

methyl 2-(isoquinolin-1-yl)propanoate

CAS No.:
2119308-23-3
Catalog Number:
AG01EIQJ
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01EIQJ
Chemical Name:
methyl 2-(isoquinolin-1-yl)propanoate
CAS Number:
2119308-23-3
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD31616041
IUPAC Name:
methyl 2-isoquinolin-1-ylpropanoate
InChI:
InChI=1S/C13H13NO2/c1-9(13(15)16-2)12-11-6-4-3-5-10(11)7-8-14-12/h3-9H,1-2H3
InChI Key:
GDNKIRVFBHIHMR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1nccc2c1cccc2)C
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties