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N-Butyric Acid

CAT: 0459-027535-01Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0459-027535-01Size:500 mL
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CAS Number
107-92-6

Chemical Information

Butyric Acid

Butyric acid is a straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. It has a role as a Mycoplasma genitalium metabolite and a human urinary metabolite. It is a fatty acid 4:0 and a straight-chain saturated fatty acid. It is a conjugate acid of a butyrate.

CAS Number107-92-6
PubChem CID264
IUPAC Namebutanoic acid
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
CCCC(=O)O
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
FERIUCNNQQJTOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyric Acid
CAS: 107-92-6
CID: 264
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.5
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