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42414-28-8 | 4,6,8-TRIMETHYL-QUINOLIN-2-OL
CAS No: 42414-28-8 Catalog No: AG00D77C MDL No:MFCD00047596
Product Description
Catalog Number:
AG00D77C
Chemical Name:
4,6,8-TRIMETHYL-QUINOLIN-2-OL
CAS Number:
42414-28-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00047596
IUPAC Name:
4,6,8-trimethyl-1H-quinolin-2-one
InChI:
InChI=1S/C12H13NO/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14)
InChI Key:
UHXASMSNKAVYHU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(C)cc(n2)O
NSC Number:
108501
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:
1
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
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