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107027-47-4 | 2-(4-METHOXYPHENYL)-8-METHYLQUINOLINE-4-CARBOXYLIC ACID
CAS No: 107027-47-4 Catalog No: AG008VMA MDL No:MFCD03420036
Product Description
Catalog Number:
AG008VMA
Chemical Name:
2-(4-METHOXYPHENYL)-8-METHYLQUINOLINE-4-CARBOXYLIC ACID
CAS Number:
107027-47-4
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
MDL Number:
MFCD03420036
IUPAC Name:
2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C18H15NO3/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-10H,1-2H3,(H,20,21)
InChI Key:
WERFLPDFGFSTQK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
NSC Number:
142529
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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