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6-methoxy-4-chromanone

CAT: 0931-Fr21239-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr21239-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5802-17-5
Purity
0.9922
Bioactivity
6-methoxy-4-chromanone, with CAS No. 5802-17-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 6-methoxy-4-chromanone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
COc1ccc2OCCC(=O)c2c1
Molecular Formula
C10H10O3
Molecular Weight
178.187
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
CAS Number5802-17-5
PubChem CID4612168
IUPAC Name6-methoxy-2,3-dihydrochromen-4-one
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP1.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity202
SMILES
COC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C10H10O3/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKey
LQIYOSKKKUPTRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
CAS: 5802-17-5
CID: 4612168
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
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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Alternative Products

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sc-2569856-Fluoro-4-chromanone
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