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100445-44-1 | 2-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS No: 100445-44-1 Catalog No: AG00020D MDL No:
Product Description
Catalog Number:
AG00020D
Chemical Name:
2-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS Number:
100445-44-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate
InChI:
InChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h6-7H,2-5H2,1H3
InChI Key:
YIGRWHJCORERRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)CCCC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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