CAS
937597-96-1 Purity
96%
937597-96-1 Purity
96%
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1-(2-Cyanophenyl)piperidine-4-carboxylic acid
CAS
937601-79-1
Catalog Number
ACM937601791
Category
Other Products
Molecular Weight
230.262460 [g/mol]
Molecular Formula
C13H14N2O2
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Specification
Synonyms
1-(2-Cyanophenyl)piperidine-4-carboxylic acid, 937601-79-1, 2-(4-Carboxypiperidin-1-yl)benzonitrile, 1-(2-cyanophenyl)-4-piperidinecarboxylic acid, AGN-PC-01XG3L, SureCN2558711, CTK7C8744, cyanophenylpiperidinecarboxylicacid, MolPort-001-769-916, ANW-54947, SBB097611, AKOS000261523, AG-A-12465, GA-0722, MB06471, MCULE-4496406397, RP13246, AK-82838, KB-88250
IUPAC Name
1-(2-cyanophenyl)piperidine-4-carboxylic acid
SMILES
C1CN(CCC1C(=O)O)C2=CC=CC=C2C#N
InChI Key
UPPMSPCFXVKLNW-UHFFFAOYSA-N
Exact Mass
230.10600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound 1-(2-Cyanophenyl)piperidine-4-carboxylic acid?
The molecular formula is C13H14N2O2.
When was the compound created and last modified?
The compound was created on 2007-12-04 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-cyanophenyl)piperidine-4-carboxylic acid.
What is the InChIKey of the compound?
The InChIKey is UPPMSPCFXVKLNW-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 230.26 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 230.105527694 g/mol.
How many topological polar surface area does the compound have?
The compound has a topological polar surface area of 64.3 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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