Home Carboxys 1-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylic acid

1-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylic acid

CAS No.:
1178148-39-4
Catalog Number:
AG01A25T
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01A25T
Chemical Name:
1-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylic acid
CAS Number:
1178148-39-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD12158914
IUPAC Name:
1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
InChI:
InChI=1S/C13H17NO2/c1-9(2)14-8-4-6-10-11(13(15)16)5-3-7-12(10)14/h3,5,7,9H,4,6,8H2,1-2H3,(H,15,16)
InChI Key:
DAMDITZLXXHMDP-UHFFFAOYSA-N
SMILES:
CC(N1CCCc2c1cccc2C(=O)O)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties