CCOC(=O)CC(C)O
CAS: 5405-41-4
Название: ethyl 3-hydroxybutanoate
SMILES: CCOC(=O)CC(C)O

Molecular Processing

Molecular formula
C6H12O3
Molecular weight
132.16
Exact mass
132.0786
XLogP
0.32
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
32.93

Supplementary Information

InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N
Синонимы
Ethyl 3-hydroxybutyrateEthyl 3-hydroxybutanoate5405-41-4Ethyl beta-hydroxybutyrateButanoic acid, 3-hydroxy-, ethyl esterEthyl dl-3-hydroxybutyrateFEMA No. 3428Butyric acid, 3-hydroxy-, ethyl esterEthyl (1)-3-hydroxybutyrateDTXSID60253053-hydroxybutyric acid ethyl esterNSC-8115NSC-4291652008C87PVDTXCID105305CHEBI:876853-hydroxybutanoic acid ethyl esterRefChem:138698226-456-2252-642-835608-64-1Ethyl (R)-(-)-3-hydroxybutyrateNSC 8115NSC 42916MFCD00004545Ethyl .beta.-hydroxybutyrateDL-3-Hydroxy-n-butyrate ethyl esterEthyl3-hydroxybutyrategrape butyrateEthyl 3-hydroxybutyrate (natural)
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