Mesembrenone

Catalog Number	ACM468542
CAS Number	468-54-2
Synonyms	(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-6H-indol-6-one
Molecular Weight	287.35
InChI	InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1
InChI Key	HDNHBCSWFYFPAN-IRXDYDNUSA-N
Purity	95%+
Complexity	436
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	287.15214353
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1CC[C@]2([C@@H]1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC
Monoisotopic Mass	287.15214353
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	38.8 Ų

Custom Q&A

What is the predicted pKa value of Mesembrenone?

The predicted pKa value of Mesembrenone is 5.34±0.40.

What are some synonyms for Mesembrenone?

Some synonyms for Mesembrenone are C09223 and 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,4,5-hexahydro-1-methyl-.

What is the CAS number for Mesembrenone?

The CAS number for Mesembrenone is 80287-15-6.

What is the molecular formula of Mesembrenone?

The molecular formula of Mesembrenone is C17H21NO3.

What is the molecular weight of Mesembrenone?

The molecular weight of Mesembrenone is 287.35.

What is the predicted boiling point of Mesembrenone?

The predicted boiling point of Mesembrenone is 391.4±42.0 °C.

What is the predicted density of Mesembrenone?

The predicted density of Mesembrenone is 1.19±0.1 g/cm3.

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