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5-Methoxy-2',3'-dehydromarmesin

CAT: 0013-GTR19182725-01Size: 5 mgDry Ice: NoHazardous: No
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Description
5-Methoxy-2',3'-dehydromarmesin (CAS 54087-32-0) is a natural coumarin derivative used in life science research. It serves as a biochemical tool for in vitro studies investigating biological activities, such as potential anti-inflammatory or enzyme inhibitory effects, associated with this class of compounds.
CAS Number
54087-32-0
Smiles
COc1c2cc (oc2cc2oc (=O) ccc12) C (C) (C) O
Molecular Formula
C15H14O5
Molecular Weight
274.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(1-Hydroxy-1-methylethyl)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

2-(1-Hydroxy-1-methylethyl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one has been reported in Melicope barbigera with data available.

CAS Number54087-32-0
PubChem CID621251
IUPAC Name2-(2-hydroxypropan-2-yl)-4-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC15H14O5
Molecular Weight274.27
XLogP2
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity430
SMILES
CC(C)(C1=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
InChI
InChI=1S/C15H14O5/c1-15(2,17)12-6-9-11(19-12)7-10-8(14(9)18-3)4-5-13(16)20-10/h4-7,17H,1-3H3
InChIKey
XCLWLMIHAUZKOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Hydroxy-1-methylethyl)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
CAS: 54087-32-0
CID: 621251
Formula: C15H14O5
MW: 274.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.27
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass274.08412354
Monoisotopic Mass274.08412354
Topological Polar Surface Area68.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity430
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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