Chemical Properties of Decursinol angelate (CAS 130848-06-5)

InChI

InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5-/t16-/m1/s1

InChI Key

AGABNGOXUSXQDD-YLBKJFSISA-N

Formula

C19H20O5

SMILES

CC=C(C)C(=O)OC1Cc2cc3ccc(=O)oc3cc2OC1(C)C

Molecular Weight¹

328.36

CAS

130848-06-5

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-9.12		Crippen Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
McVol	245.240	ml/mol	McGowan Calculated Property
Inp	[2757.00; 2757.00]
Inp	2757.00		NIST
Inp	2757.00		NIST
Inp	2757.00		NIST
Inp	2757.00		NIST

Similar Compounds

Find more compounds similar to Decursinol angelate.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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