이름: ethyl acetate;heptane
SMILES:
CCCCCCC.CCOC(=O)CMolecular Processing
Molecular formula
C11H24O2
Molecular weight
188.31
Exact mass
188.1776
XLogP
3.55
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.909
Molar refractivity
56.74
Supplementary Information
InChIKey: DEQYTNZJHKPYEZ-UHFFFAOYSA-N
동의어
AcOEt heptaneEA heptaneheptane AcOEtheptane EAheptane EtOAcEtOAc HeptaneAcOEt n-heptaneEtOAc n-heptanen-heptane AcOEtn-heptane EtOAcEA n-heptanen-heptan EtOAcn-heptane EAethylacetate heptaneheptane ethylacetateethyl acetat heptaneethyl acetate heptanheptan ethyl acetateethyl acetate heptaneheptane ethy lacetateheptane ethyl acetaten-heptan ethyl acetateethyl acetate n-heptanen-heptane ethyl acetateSCHEMBL5532DEQYTNZJHKPYEZ-UHFFFAOYSA-N
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