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4-Methylumbelliferyl Palmitate

CAT: 0572-TRC-M333070-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M333070-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17695-48-6
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C
Molecular Formula
C26 H38 O4
Molecular Weight
414.58
InChI
InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3
Additionnal Information
IUPAC name: (4-methyl-2-oxochromen-7-yl) hexadecanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methylumbelliferyl palmitate
CAS Number17695-48-6
PubChem CID87248
IUPAC Name(4-methyl-2-oxochromen-7-yl) hexadecanoate
Molecular FormulaC26H38O4
Molecular Weight414.6
XLogP9.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity539
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3
InChIKey
QKQVFFACWLFRRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferyl palmitate
CAS: 17695-48-6
CID: 87248
Formula: C26H38O4
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP39.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass414.27700969
Monoisotopic Mass414.27700969
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity539
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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