CAS
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(S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester
Catalog Number
ACMA00002157
Category
Ethers
Molecular Weight
191.23
Molecular Formula
C11H12O5
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The molecular formula is C11H13NO2.
What is the PubChem CID of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The PubChem CID is 6927640.
What is the IUPAC Name of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The IUPAC Name is methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate.
What is the InChI of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The InChI is InChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1.
What is the molecular weight of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The molecular weight is 191.23 g/mol.
What is the Canonical SMILES of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The Canonical SMILES is COC(=O)C1CCC2=CC=CC=C2N1.
What is the XLogP3-AA value of (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester have?
It has 2 rotatable bond counts.
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