11-Acetamidoundecanoic acid

HCID 454085
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Basic information

CAS
106738-27-6
Standard SMILES
CC(=O)NCCCCCCCCCCC(=O)O
InChIKey
JSPMXQSAQOIHJM-UHFFFAOYSA-N
Molecular formula
C13H25NO3
Average molar mass
243.34 g/mol
Monoisotopic mass
243.18344366

Names & identifiers

Preferred name
11-Acetamidoundecanoic acid
IUPAC
11-acetamidoundecanoic acid

Names & synonyms

11-acetamidoundecanoic acid106738-27-611MeCONH undec acidUndecanoic acid, 11-(acetylamino)-11-acetylamino-undecanoic acidSCHEMBL460904311-(Acetylamino)undecanoic acidDTXSID30332386JSPMXQSAQOIHJM-UHFFFAOYSA-NAAA12/13EN300-18849143

Database identifiers

CAS
106738-27-6
PubChem CID
454085
DTXSID
DTXSID30332386

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
11
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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