Home Carboxys 2-propoxyquinoline-3-carboxylic acid

2-propoxyquinoline-3-carboxylic acid

CAS No.:
1094760-75-4
Catalog Number:
AG01BK0D
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
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Product Description
Catalog Number:
AG01BK0D
Chemical Name:
2-propoxyquinoline-3-carboxylic acid
CAS Number:
1094760-75-4
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD11619325
IUPAC Name:
2-propoxyquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H13NO3/c1-2-7-17-12-10(13(15)16)8-9-5-3-4-6-11(9)14-12/h3-6,8H,2,7H2,1H3,(H,15,16)
InChI Key:
OKXRKSVCQCZTEZ-UHFFFAOYSA-N
SMILES:
CCCOc1nc2ccccc2cc1C(=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:
2.9  
Properties