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6-Hydroxy methaqualone

CAT: 0926-FH24046-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24046-01Size:2 mg
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CAS Number
5060-51-5
Synonyms
6-Hydroxy-2-methyl-3- (2-methylphenyl) -4 (3H) -quinazolinone;6-Hydroxy-2-methyl-3-o-tolyl-4 (3H) -quinazolinone;2-Methyl-3-o-tolyl-6-hydr oxy-4 (3H) -quinazolinone
MDL Number
MFCD27978002
Smiles
CC1=CC=CC=C1N2C (=NC3=C (C2=O) C=C (C=C3) O) C
Molecular Formula
C16H14N2O2
Molecular Weight
266.29 g/mol
Controlled
Yes

Chemical Information

6-Hydroxymethaqualone
CAS Number5060-51-5
PubChem CID64016
IUPAC Name6-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular FormulaC16H14N2O2
Molecular Weight266.29
XLogP2.1
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity421
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)O)C
InChI
InChI=1S/C16H14N2O2/c1-10-5-3-4-6-15(10)18-11(2)17-14-8-7-12(19)9-13(14)16(18)20/h3-9,19H,1-2H3
InChIKey
NHGHFELYOIWDRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxymethaqualone
CAS: 5060-51-5
CID: 64016
Formula: C16H14N2O2
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass266.105527694
Monoisotopic Mass266.105527694
Topological Polar Surface Area52.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity421
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