CCOC(=O)C.O
Name: ethyl acetate;hydrate
SMILES: CCOC(=O)C.O

Molecular Processing

Molecular formula
C4H10O3
Molecular weight
106.12
Exact mass
106.063
XLogP
-0.26
TPSA
57.8
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.75
Molar refractivity
25.92

Supplementary Information

InChIKey: MHYCRLGKOZWVEF-UHFFFAOYSA-N
Synonyms
AcOEt waterEtOAc waterwater AcOEtwater EtOAcEA waterethylacetate waterwater EAwater ethylacetateH2O ethylacetateethyl acetate H2Oethyl acetate waterethyl acetate-waterH2O ethyl acetatewater ethyl acetateAcOEt H2OAcOEt-H2OEtOAc H2OEtOAc-H2OH2O AcOEtH2O EtOAcEA H2OH2O EASCHEMBL5891SCHEMBL27374315MHYCRLGKOZWVEF-UHFFFAOYSA-N
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Involved in 828 reactions→

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