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6-Acetamidohexanoic Acid

CAT: 1299-RG-A030522-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A030522-01Size:10 mg
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CAS Number
57-08-9
Synonyms
6-acetamidohexanoic acid
Molecular Formula
C8H15NO3
Molecular Weight
173.21
Target Alternative Name
Hexanoic Acid
Product Name Synonym
6-acetamidohexanoic acid

Chemical Information

6-Acetylaminocaproic acid

Acexamic acid is a medium-chain fatty acid.

CAS Number57-08-9
PubChem CID2005
IUPAC Name6-acetamidohexanoic acid
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP0.1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey
WDSCBUNMANHPFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Acetylaminocaproic acid
CAS: 57-08-9
CID: 2005
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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