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17718-14-8

17718-14-8 | 1(2H)-Quinolinecarboxylic acid, methyl ester

CAS No: 17718-14-8 Catalog No: AG00255G MDL No:

Product Description

Catalog Number:
AG00255G
Chemical Name:
1(2H)-Quinolinecarboxylic acid, methyl ester
CAS Number:
17718-14-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
methyl 2H-quinoline-1-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-14-11(13)12-8-4-6-9-5-2-3-7-10(9)12/h2-7H,8H2,1H3
InChI Key:
PBSJLGYCWCUXLV-UHFFFAOYSA-N
SMILES:
COC(=O)N1CC=Cc2c1cccc2

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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