名称: ethyl acetate;toluene
SMILES:
CCOC(=O)C.CC1=CC=CC=C1Molecular Processing
Molecular formula
C11H16O2
Molecular weight
180.25
Exact mass
180.115
XLogP
2.56
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
53.49
Supplementary Information
InChIKey: OAMZXMDZZWGPMH-UHFFFAOYSA-N
同義語
AcOEt tolueneEtOAc toluenetoluene AcOEttoluene EtOAcPhMe EtOAcethylacetate toluenetoluene ethylacetateethyl actate tolueneethyl acetate toluenePhCH3 AcOEttoluene ethyl acetatetoluene - ethyl acetateSCHEMBL954OAMZXMDZZWGPMH-UHFFFAOYSA-N
177 件の反応に参加→