Molecular Identity
Acetic acid C-11
acetic acid
PubChem CID: 450349
2D Structure
Properties
C2H4O2
Molecular Formula
59.05
Molecular Weight
g/mol
59.0326
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
31
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OIsomeric SMILES
SMILES: C[11C](=O)OSynonyms(19)
Acetic acid C-1111C-AcetateAcetic-1-11c acidcarbon-11 acetate2A9OM7IPNW(11c)acetic acidC-11 acetate78887-71-5(11C)-acetate(1-11C)acetic acidC11 Acetate(11c) acetateRefChem:914960UNII-2A9OM7IPNWCHEMBL4297336
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Acetic acid C-11
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