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5-Hydroxy-2-methyl-4-chromanone

CAT: 0498-bs-75740C-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0498-bs-75740C-01Size:500 µg
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CAS Number
14153-17-4
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO or methylene chloride; weakly soluble in water.
Smiles
CC1CC(=O)C2=C(O)C=CC=C2O1
Molecular Formula
C10H10O3
Molecular Weight
178.2
Storage Conditions
Stable for 1 year after receipt when stored at -20°C. After reconstitution protect from light at -20°C.
Appearance
Off-white to yellow solid.

Chemical Information

5-Hydroxy-2-methylchroman-4-one

5-Hydroxy-2-methylchromanone has been reported in Cadophora gregata with data available.

CAS Number14153-17-4
PubChem CID13316455
IUPAC Name5-hydroxy-2-methyl-2,3-dihydrochromen-4-one
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity214
SMILES
CC1CC(=O)C2=C(C=CC=C2O1)O
InChI
InChI=1S/C10H10O3/c1-6-5-8(12)10-7(11)3-2-4-9(10)13-6/h2-4,6,11H,5H2,1H3
InChIKey
WHEIRCBYUYIIMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-2-methylchroman-4-one
CAS: 14153-17-4
CID: 13316455
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes