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Home > Quinoline > 449199-19-3
449199-19-3 | 2,7,8-Trimethyl-4-quinolinol
CAS No: 449199-19-3 Catalog No: AG00I8H6 MDL No:MFCD02968777
Product Description
Catalog Number:
AG00I8H6
Chemical Name:
2,7,8-Trimethyl-4-quinolinol
CAS Number:
449199-19-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD02968777
IUPAC Name:
2,7,8-trimethyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-7-4-5-10-11(14)6-8(2)13-12(10)9(7)3/h4-6H,1-3H3,(H,13,14)
InChI Key:
UXTKZNADIFVKBK-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)c(C)c(cc2)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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