COC(=O)CCC1=CC=C(C=C1)C#C
CAS: 1068471-18-0
Nombre: methyl 3-(4-ethynylphenyl)propanoate
SMILES: COC(=O)CCC1=CC=C(C=C1)C#C

Molecular Processing

Molecular formula
C12H12O2
Molecular weight
188.23
Exact mass
188.0837
XLogP
1.77
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
54.71

Supplementary Information

InChIKey: AEQLLXBBEQSUNW-UHFFFAOYSA-N
Sinónimos
Methyl 3-(4-Ethynylphenyl)propanoate1068471-18-0RefChem:814883828-933-6MFCD26398532SCHEMBL516523AEQLLXBBEQSUNW-UHFFFAOYSA-NMethyl3-(4-Ethynylphenyl)propanoateAC2398AKOS027256676BS-14296SY028001DB-343289CS-0158562F547183A1-10266
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