Name: 9-(3-bromo-5-oxocyclopenten-1-yl)nonanoic acid
SMILES:
C1C(C=C(C1=O)CCCCCCCCC(=O)O)BrMolecular Processing
Molecular formula
C14H21BrO3
Molecular weight
317.22
Exact mass
316.0674
XLogP
3.85
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
18
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
0.714
Molar refractivity
74.99
Supplementary Information
InChIKey: QIKCWYXTJKEBNU-UHFFFAOYSA-N
Synonyme
SCHEMBL11111988QIKCWYXTJKEBNU-UHFFFAOYSA-N4-bromo-2-(8-carboxyoctyl)cyclopent-2-en-1-one
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