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1018565-99-5 | 1(2H)-Quinolineacetic acid, 3,4-dihydro-α-oxo-
CAS No: 1018565-99-5 Catalog No: AG0005QO MDL No:MFCD10018451
Product Description
Catalog Number:
AG0005QO
Chemical Name:
1(2H)-Quinolineacetic acid, 3,4-dihydro-α-oxo-
CAS Number:
1018565-99-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD10018451
IUPAC Name:
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C11H11NO3/c13-10(11(14)15)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,14,15)
InChI Key:
FBNDXNKYPCIUMD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)N1CCCc2c1cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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