Methyl demethoxycarbonylchanofruticosinate

Catalog Number	ACM80151899
CAS Number	80151-89-9
Synonyms	Des-N-(methoxycarbonyl)chanofruticosinic acid methyl ester
Molecular Weight	352.4
InChI	InChI=1S/C21H24N2O3/c1-26-18(25)20-9-8-19-7-4-10-23-12-14(16(24)11-19)21(20,17(19)23)13-5-2-3-6-15(13)22-20/h2-3,5-6,14,17,22H,4,7-12H2,1H3/t14-,17+,19-,20-,21+/m1/s1
InChI Key	DQJVZFCMYXOSQZ-FHBRLQHDSA-N
Purity	90%+
Complexity	695
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	352.17869263
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	COC(=O)[C@]12CC[C@@]34CCCN5[C@@H]3[C@@]1([C@H](C5)C(=O)C4)C6=CC=CC=C6N2
Monoisotopic Mass	352.17869263
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	58.6 Ų

Custom Q&A

What is the product name of the compound referenced?

The product name is Methyl demethoxycarbonylchafruticosinate.

What are some synonyms of Methyl demethoxycarbonylchafruticosinate?

Some synonyms include Methyl deMethoxycarbonylchanofruticosinate and Methyl N-(decarbomethoxy)chanofruticosinate.

What is the CAS number of Methyl demethoxycarbonylchafruticosinate?

The CAS number is 80151-89-9.

What is the molecular formula of Methyl demethoxycarbonylchafruticosinate?

The molecular formula is C21H24N2O3.

What is the molar mass of Methyl demethoxycarbonylchafruticosinate?

The molar mass is 352.43 g/mol.

What is the predicted boiling point of Methyl demethoxycarbonylchafruticosinate?

The predicted boiling point is 532.7±50.0 °C.

What is the predicted density of Methyl demethoxycarbonylchafruticosinate?

The predicted density is 1.36±0.1 g/cm3.

What is the predicted pka value of Methyl demethoxycarbonylchafruticosinate?

The predicted pka is 7.06±0.40.

What is the chemical property that is described in the reference for Methyl demethoxycarbonylchafruticosinate?

The chemical properties discussed include boiling point, density, and pka value.

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