C1C(C=C(C1=O)CCCCCCC(=O)O)Br
Name: 7-(3-bromo-5-oxocyclopenten-1-yl)heptanoic acid
SMILES: C1C(C=C(C1=O)CCCCCCC(=O)O)Br

Molecular Processing

Molecular formula
C12H17BrO3
Molecular weight
289.17
Exact mass
288.0361
XLogP
3.07
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
65.76

Supplementary Information

InChIKey: VNJSCIBNGWQOSZ-UHFFFAOYSA-N
Synonyme
SCHEMBL10689001VNJSCIBNGWQOSZ-UHFFFAOYSA-N4-bromo-2(6-carboxyhexyl)cyclopent-2-en-1-one4-bromo-2-(6-carboxyhexyl)cyclopent-2-en-1-one
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