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5-Methyl-8-hydroxycoumarin

CAT: 0572-TRC-M299260-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M299260-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36651-81-7
Synonyms
8-Hydroxy-5-methyl-2H-1-benzopyran-2-one;
Hazard Statement
No Data Available
Smiles
Cc1ccc(O)c2OC(=O)C=Cc12
Molecular Formula
C10H8O3
Molecular Weight
176.17
Shipping Conditions
Room Temperature

Chemical Information

5-Methyl-8-hydroxycoumarin

5-Methyl-8-hydroxycoumarin has been reported in Centaurea ornata with data available.

CAS Number36651-81-7
PubChem CID3080784
IUPAC Name8-hydroxy-5-methylchromen-2-one
Molecular FormulaC10H8O3
Molecular Weight176.17
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity247
SMILES
CC1=C2C=CC(=O)OC2=C(C=C1)O
InChI
InChI=1S/C10H8O3/c1-6-2-4-8(11)10-7(6)3-5-9(12)13-10/h2-5,11H,1H3
InChIKey
LFIPWJLWVGROTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-8-hydroxycoumarin
CAS: 36651-81-7
CID: 3080784
Formula: C10H8O3
MW: 176.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass176.047344113
Monoisotopic Mass176.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity247
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

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