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4-Methylumbelliferyl Decanoate

CAT: 0572-TRC-M334450-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M334450-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66185-70-4
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C
Molecular Formula
C20 H26 O4
Molecular Weight
330.42
InChI
InChI=1S/C20H26O4/c1-3-4-5-6-7-8-9-10-19(21)23-16-11-12-17-15(2)13-20(22)24-18(17)14-16/h11-14H,3-10H2,1-2H3
Additionnal Information
IUPAC name: (4-methyl-2-oxochromen-7-yl) decanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Methylumbelliferyl Decanoate
CAS Number66185-70-4
PubChem CID4607825
IUPAC Name(4-methyl-2-oxochromen-7-yl) decanoate
Molecular FormulaC20H26O4
Molecular Weight330.4
XLogP6.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count24
Formal Charge0
Complexity455
SMILES
CCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C20H26O4/c1-3-4-5-6-7-8-9-10-19(21)23-16-11-12-17-15(2)13-20(22)24-18(17)14-16/h11-14H,3-10H2,1-2H3
InChIKey
HTFJJKMPGKQQNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferyl Decanoate
CAS: 66185-70-4
CID: 4607825
Formula: C20H26O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass330.18310931
Monoisotopic Mass330.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity455
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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