COC(=O)CCC#C
CAS: 21565-82-2
الاسم: methyl pent-4-ynoate
SMILES: COC(=O)CCC#C

Molecular Processing

Molecular formula
C6H8O2
Molecular weight
112.13
Exact mass
112.0524
XLogP
0.57
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
30.08

Supplementary Information

InChIKey: WCSNOLUUFIWIHY-UHFFFAOYSA-N
مرادفات
21565-82-2Methyl 4-pentynoateRefChem:816574840-502-4methyl pent-4-ynoate4-pentynoic acid methyl ester4-Pentynoic acid, methyl esterpent-4-ynoic acid methyl esterMFCD12025043methylpent-4-ynoatemethyl 4-pentinoateSCHEMBL363440SCHEMBL965600AKOS017343522AT21755DA-08191MS-20481SY057491CS-0137200EN300-1716628F619961
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