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923679-85-0 | "5-Hydroxy-1,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one"
CAS No: 923679-85-0 Catalog No: AG01FM5V MDL No:MFCD08692077
Product Description
Catalog Number:
AG01FM5V
Chemical Name:
"5-Hydroxy-1,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one"
CAS Number:
923679-85-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD08692077
IUPAC Name:
5-hydroxy-1,7,7-trimethyl-6,8-dihydro-5H-quinolin-2-one
InChI:
InChI=1S/C12H17NO2/c1-12(2)6-9-8(10(14)7-12)4-5-11(15)13(9)3/h4-5,10,14H,6-7H2,1-3H3
InChI Key:
QFLLFDSFNOHPLU-UHFFFAOYSA-N
SMILES:
OC1CC(C)(C)Cc2c1ccc(=O)n2C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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