Home Carboxys Ethyl isoquinoline-3-carboxylate

Ethyl isoquinoline-3-carboxylate

CAS No.:
50458-79-2
Catalog Number:
AG006YN2
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$525
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG006YN2
Chemical Name:
Ethyl isoquinoline-3-carboxylate
CAS Number:
50458-79-2
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD10566077
IUPAC Name:
ethyl isoquinoline-3-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
InChI Key:
IFSCYCNNAIADLI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(c1)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties