Structure

Gamma-fagarine

CAS
524-15-2
Catalog Number
ACM524152
Category
Other Products
Molecular Weight
229.23
Molecular Formula
C13H11NO3

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Specification

Synonyms
8-Methoxydictamine
InChI
InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
InChI Key
KFBCTNNQFGONHB-UHFFFAOYSA-N
Melting Point
142 °C
Complexity
273
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Exact Mass
229.07389321
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Monoisotopic Mass
229.07389321
Physical State
Powder
Rotatable Bond Count
2
Topological Polar Surface Area
44.5 Ų
What is the molecular formula of Gamma-Fagarine?

The molecular formula of Gamma-Fagarine is C13H11NO3.

What is the molecular weight of Gamma-Fagarine?

The molecular weight of Gamma-Fagarine is 229.23 g/mol.

What is the IUPAC name of Gamma-Fagarine?

The IUPAC name of Gamma-Fagarine is 4,8-dimethoxyfuro[2,3-b]quinoline.

What is the InChIKey of Gamma-Fagarine?

The InChIKey of Gamma-Fagarine is KFBCTNNQFGONHB-UHFFFAOYSA-N.

What is the Canonical SMILES of Gamma-Fagarine?

The Canonical SMILES of Gamma-Fagarine is COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3.

What is the CAS number of Gamma-Fagarine?

The CAS number of Gamma-Fagarine is 524-15-2.

What is the XLogP3-AA value of Gamma-Fagarine?

The XLogP3-AA value of Gamma-Fagarine is 2.9.

How many hydrogen bond acceptors are in Gamma-Fagarine?

There are 4 hydrogen bond acceptors in Gamma-Fagarine.

How many rotatable bond counts are in Gamma-Fagarine?

There are 2 rotatable bond counts in Gamma-Fagarine.

What is the topological polar surface area of Gamma-Fagarine?

The topological polar surface area of Gamma-Fagarine is 44.5 Ų.

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