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Methyl 2-(pyridin-2-yl)propanoate

HCID 54595201
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Basic information

Standard SMILES
COC(=O)C(C)c1ccccn1
InChIKey
OTCWAURCMRSFCN-UHFFFAOYSA-N
Molecular formula
C9H11NO2
Average molar mass
165.19 g/mol

Names & identifiers

Preferred name
Methyl 2-(pyridin-2-yl)propanoate
IUPAC
methyl 2-pyridin-2-ylpropanoate

Names & synonyms

methyl 2-(pyridin-2-yl)propanoate21883-27-2methyl 2-pyridin-2-ylpropanoateSCHEMBL1028262Methyl 2-(2-Pyridyl)propanoatemethyl 2-pyridin-2-yl-propanoatemethyl2-(pyridin-2-yl)propanoateOTCWAURCMRSFCN-UHFFFAOYSA-NWAA88327MFCD18836873AKOS012989788AT23841
Show more names
DA-08096SY195680CS-0263209EN300-85570Z1143356350

Database identifiers

PubChem CID
54595201

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
159

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Related reactions

4 records
New reaction record
HRID 951402 reaction equation
HRID 951402As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1888160 reaction equation
HRID 1888160As reactantuspto-grants-2013_08
HRID 2203305 reaction equation
HRID 2203305As productuspto-grants-2016_06
HRID 2203306 reaction equation
HRID 2203306As reactantuspto-grants-2016_06

Compound notes

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