Isochavicine

Catalog Number	ACM30511774
CAS Number	30511-77-4
Structure
IUPAC Name	(2E,4Z)-5-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Molecular Weight	285.34
Molecular Formula	C17H19NO3
Canonical SMILES	C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
InChI	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3+
InChI Key	MXXWOMGUGJBKIW-MFDSWNTHSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	412
Exact Mass	285.13649347
Heavy Atom Count	21
Isomeric SMILES	C1CCN(CC1)C(=O)/C=C/C=C\C2=CC3=C(C=C2)OCO3
Monoisotopic Mass	285.13649347
Topological Polar Surface Area	38.8Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 30511-77-4?

The chemical name is 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4Z)-.

What is the common name of the compound?

The common name is Isochavicine.

What is the molecular formula of Isochavicine?

The molecular formula is C17H19NO3.

What is the molecular weight of Isochavicine?

The molecular weight is 285.34 g/mol.

What is the predicted boiling point of Isochavicine?

The predicted boiling point is 498.5±40.0 °C.

What is the predicted density of Isochavicine?

The predicted density is 1.211±0.06 g/cm3.

What is the predicted pka value of Isochavicine?

The predicted pka value is -0.93±0.20.

What are the synonyms for Isochavicine?

One synonym for Isochavicine is 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4Z)-.

What is the significance of Isochavicine in terms of potential uses or applications?

Further research could investigate the potential uses or applications of Isochavicine in various fields such as medicine, agriculture, or materials science.

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