Home Carboxys Methyl isoquinoline-4-carboxylate

Methyl isoquinoline-4-carboxylate

CAS No.:
20317-40-2
Catalog Number:
AG0028P8
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG0028P8
Chemical Name:
Methyl isoquinoline-4-carboxylate
CAS Number:
20317-40-2
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD11111833
IUPAC Name:
methyl isoquinoline-4-carboxylate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)10-7-12-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key:
GOMAQBGRXCIEBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc2c1cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties