CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C#C
الاسم: methyl 4-ethynyl-2-methyl-5-methylsulfonylbenzoate
SMILES: CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C#C

Molecular Processing

Molecular formula
C12H12O4S
Molecular weight
252.29
Exact mass
252.0456
XLogP
1.17
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
63.56

Supplementary Information

InChIKey: IJYTUDXCCQFQEJ-UHFFFAOYSA-N
مرادفات
SCHEMBL8663984IJYTUDXCCQFQEJ-UHFFFAOYSA-Nmethyl 2-methyl-4-ethynyl-5-methylsulfonyl-benzoate
عرض المصدر →
مشارك في 2 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→