Home Carboxys 1-propoxyisoquinoline-3-carboxylic acid

1-propoxyisoquinoline-3-carboxylic acid

CAS No.:
1094509-81-5
Catalog Number:
AG01AIHB
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AIHB
Chemical Name:
1-propoxyisoquinoline-3-carboxylic acid
CAS Number:
1094509-81-5
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD11619125
IUPAC Name:
1-propoxyisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H13NO3/c1-2-7-17-12-10-6-4-3-5-9(10)8-11(14-12)13(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChI Key:
PBXKSLPJSWHEGK-UHFFFAOYSA-N
SMILES:
CCCOc1nc(cc2c1cccc2)C(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties