Home Carboxys Methyl isoquinoline-1-carboxylate

Methyl isoquinoline-1-carboxylate

CAS No.:
27104-72-9
Catalog Number:
AG00BG3X
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$118
- +
5g
96%
In Stock USA
United States
$354
- +
25g
96%
In Stock USA
United States
$1062
- +
Product Description
Catalog Number:
AG00BG3X
Chemical Name:
Methyl isoquinoline-1-carboxylate
CAS Number:
27104-72-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD11506138
IUPAC Name:
methyl isoquinoline-1-carboxylate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10/h2-7H,1H3
InChI Key:
WJHGJDGITRCZLH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc2c1cccc2
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:
2.3  
Properties