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Ethyl 2-[6-(hydroxymethyl)-3-pyridinyl]acetate

HCID 69710375
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Basic information

Standard SMILES
CCOC(=O)Cc1ccc(CO)nc1
InChIKey
NZPRXGUPRQWUJD-UHFFFAOYSA-N
Molecular formula
C10H13NO3
Average molar mass
195.21 g/mol

Names & identifiers

Preferred name
Ethyl 2-[6-(hydroxymethyl)-3-pyridinyl]acetate
IUPAC
ethyl 2-[6-(hydroxymethyl)-3-pyridinyl]acetate

Names & synonyms

SCHEMBL6222488

Database identifiers

PubChem CID
69710375

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
184

Related reactions

2 records
New reaction record
HRID 98472 reaction equation
HRID 98472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2158951 reaction equation
HRID 2158951As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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