COC(=O)/C=C(/OC)C(C)Br
الاسم: methyl (E)-4-bromo-3-methoxy-pent-2-enoate
SMILES: COC(=O)/C=C(/OC)C(C)Br

Molecular Processing

Molecular formula
C7H11BrO3
Molecular weight
223.07
Exact mass
221.9892
XLogP
1.47
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
45.5

Supplementary Information

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