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177478-49-8 | 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester
CAS No: 177478-49-8 Catalog No: AG0025CR MDL No:MFCD08692534
Product Description
Catalog Number:
AG0025CR
Chemical Name:
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester
CAS Number:
177478-49-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD08692534
IUPAC Name:
methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
InChI:
InChI=1S/C11H13NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-5,7,12H,2-3,6H2,1H3
InChI Key:
PPSPOJUGGLXCIV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)CCCN2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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