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88681-36-1 | Pyrazolo[1,5-a]quinoline-3-carboxylic acid, 4,5-dihydro-5,5-dimethyl-
CAS No: 88681-36-1 Catalog No: AG0047GE MDL No:
Product Description
Catalog Number:
AG0047GE
Chemical Name:
Pyrazolo[1,5-a]quinoline-3-carboxylic acid, 4,5-dihydro-5,5-dimethyl-
CAS Number:
88681-36-1
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
5,5-dimethyl-4H-pyrazolo[1,5-a]quinoline-3-carboxylic acid
InChI:
InChI=1S/C14H14N2O2/c1-14(2)7-12-9(13(17)18)8-15-16(12)11-6-4-3-5-10(11)14/h3-6,8H,7H2,1-2H3,(H,17,18)
InChI Key:
ARXIDYMIZAQKFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1CC(C)(C)c1c2cccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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