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17401-15-9 | 3-Quinolineacetic acid, 2-methyl-4-phenyl-
CAS No: 17401-15-9 Catalog No: AG001ZEW MDL No:MFCD05263156
Product Description
Catalog Number:
AG001ZEW
Chemical Name:
3-Quinolineacetic acid, 2-methyl-4-phenyl-
CAS Number:
17401-15-9
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
MDL Number:
MFCD05263156
IUPAC Name:
2-(2-methyl-4-phenylquinolin-3-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C18H15NO2.ClH/c1-12-15(11-17(20)21)18(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12;/h2-10H,11H2,1H3,(H,20,21);1H
InChI Key:
FSRDDXOKSKFDFO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc2c(c1c1ccccc1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.781g/mol
Monoisotopic Mass:
313.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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