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87547-15-7 | 6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester
CAS No: 87547-15-7 Catalog No: AG004DDB MDL No:
Product Description
Catalog Number:
AG004DDB
Chemical Name:
6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester
CAS Number:
87547-15-7
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
ethyl 2-(2,2-dimethyl-1H-quinolin-6-yl)acetate
InChI:
InChI=1S/C15H19NO2/c1-4-18-14(17)10-11-5-6-13-12(9-11)7-8-15(2,3)16-13/h5-9,16H,4,10H2,1-3H3
InChI Key:
RIUVGOBBSHQKAS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc2c(c1)C=CC(N2)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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