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56716-98-4 | 2-methyl-6-phenoxyquinolin-4-ol
CAS No: 56716-98-4 Catalog No: AG00VW6B MDL No:MFCD03847529
Product Description
Catalog Number:
AG00VW6B
Chemical Name:
2-methyl-6-phenoxyquinolin-4-ol
CAS Number:
56716-98-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD03847529
IUPAC Name:
2-methyl-6-phenoxy-1H-quinolin-4-one
InChI:
InChI=1S/C16H13NO2/c1-11-9-16(18)14-10-13(7-8-15(14)17-11)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)
InChI Key:
ZBSNECQPGWJIGI-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)ccc(c2)Oc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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