CAS
939758-24-4 Purity
96%
939758-24-4 Purity
96%
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Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CAS
939758-79-9
Catalog Number
ACM939758799
Category
Other Products
Molecular Weight
191.226420 [g/mol]
Molecular Formula
C11H13NO2
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Specification
Synonyms
Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate;1,2,3,4-Tetrahydro-5-isoquinolinecarboxylic acid methyl ester
IUPAC Name
methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate
Canonical SMILES
COC(=O)C1=C2CCNCC2=CC=C1
InChI Key
WVVZSRPWKJIQPT-UHFFFAOYSA-N
Boiling Point
341.4ºC at 760 mmHg
Flash Point
160.3ºC
Density
1.123g/cm³
Exact Mass
191.09500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The molecular formula is C11H13NO2.
When was Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate created?
It was created on July 30, 2007.
What is the IUPAC name of Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The IUPAC name is methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate.
What is the InChIKey of Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The InChIKey is WVVZSRPWKJIQPT-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The topological polar surface area is 38.3 Å2.
How many defined atom stereocenters does Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate have?
It has 0 defined atom stereocenters.
What is the formal charge of Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The formal charge is 0.
How many covalently-bonded unit counts does Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate have?
It has 1 covalently-bonded unit count.
Is Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate canonicalized?
Yes, the compound is canonicalized.
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