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4-Hydroxy-8-methylquinoline

CAT: 0127-OR12150-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR12150-01Size:1 g
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CAS Number
23432-44-2
Synonyms
8-Methylquinolin-4-ol, 4-Hydroxy-8-methyl-1-azanaphthalene
MDL Number
MFCD00272344
Purity
=95%
Smiles
Cc1cccc2c(O)ccnc12

Chemical Information

8-Methylquinolin-4(1H)-one
CAS Number23432-44-2
PubChem CID12807830
IUPAC Name8-methyl-1H-quinolin-4-one
Molecular FormulaC10H9NO
Molecular Weight159.18
XLogP1.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity222
SMILES
CC1=C2C(=CC=C1)C(=O)C=CN2
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-8-9(12)5-6-11-10(7)8/h2-6H,1H3,(H,11,12)
InChIKey
HTISUYZVEWQIMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methylquinolin-4(1H)-one
CAS: 23432-44-2
CID: 12807830
Formula: C10H9NO
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass159.068413911
Monoisotopic Mass159.068413911
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes