Home Carboxys 2-cyclopropyl-3-methylquinoline-4-carboxylic acid

2-cyclopropyl-3-methylquinoline-4-carboxylic acid

CAS No.:
1443981-69-8
Catalog Number:
AG01A4ST
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
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Product Description
Catalog Number:
AG01A4ST
Chemical Name:
2-cyclopropyl-3-methylquinoline-4-carboxylic acid
CAS Number:
1443981-69-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD20931376
IUPAC Name:
2-cyclopropyl-3-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C14H13NO2/c1-8-12(14(16)17)10-4-2-3-5-11(10)15-13(8)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,16,17)
InChI Key:
CPPAWELHXWHSFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c(nc2c1cccc2)C1CC1
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties