2,3-Dihydroxypropyl 3-oxobutanoate

HCID 9898971
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Basic information

Standard SMILES
CC(=O)CC(=O)OCC(O)CO
InChIKey
BJXWCJCOADTGSW-UHFFFAOYSA-N
Molecular formula
C7H12O5
Average molar mass
176.17 g/mol
Monoisotopic mass
176.06847348

Names & identifiers

Preferred name
2,3-Dihydroxypropyl 3-oxobutanoate
IUPAC
2,3-dihydroxypropyl 3-oxobutanoate

Names & synonyms

2,3-dihydroxypropyl 3-oxobutanoateacetoacetinstarbld0036575SCHEMBL391765BJXWCJCOADTGSW-UHFFFAOYSA-N

Database identifiers

PubChem CID
9898971
Nikkaji
J503.937A

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
83.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
12

Related reactions

1 records
New reaction record

Compound notes

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