CAS
957261-64-2 Purity
96%
957261-64-2 Purity
96%
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1,3-Isoquinolinedimethanol,1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-,(1R,3S)-
CAS
95727-08-5
Catalog Number
ACM95727085
Category
Other Products
Molecular Formula
C13H19NO4
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Specification
Density
1.216g/cm³
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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