3-Hydroxyvalerate thiophenyl ester

HCID 67150397
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Basic information

Standard SMILES
CCC(O)CC(=O)Oc1cccs1
InChIKey
IFODXZMDEZNKBQ-UHFFFAOYSA-N
Molecular formula
C9H12O3S
Average molar mass
200.26 g/mol

Names & identifiers

Preferred name
3-Hydroxyvalerate thiophenyl ester
IUPAC
thiophen-2-yl 3-hydroxypentanoate

Names & synonyms

SCHEMBL17564723-hydroxyvalerate thiophenyl esterIFODXZMDEZNKBQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
67150397

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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