1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)-

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CAS
95727-08-5
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Catalog Number

ACM95727085

Product Name

1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)-

Structure

Structure

CAS

95727-08-5

Category

Heterocyclic Organic Compound

Molecular Formula

C₁₃H₁₉NO₄

Density

1.216g/cm³

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)?

The molecular formula is C13H19NO4.

What is the molecular weight of 1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)?

The molecular weight is 253.29 g/mol.

What is the IUPAC name of 1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)?

The IUPAC name is 1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

What is the InChI of 1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)?

The InChI is InChI=1S/C13H19NO4/c1-7-3-8-4-9(5-15)14-10(6-16)11(8)12(17)13(7)18-2/h3,9-10,14-17H,4-6H2,1-2H3.

What is the InChIKey of this compound?

The InChIKey is YZJBKEBOMYOVHX-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=CC2=C(C(NC(C2)CO)CO)C(=C1OC)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.

How many hydrogen bond donor counts are there in the compound?

There are 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in the compound?

There are 5 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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