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N-Valeric Acid

CAT: 0013-GTR19153358-02Size: 50 mLDry Ice: NoHazardous: No
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Description
N-Valeric Acid (also known as Pentanoic acid; CAS number: 109-52-4) is a compound with a molecular weight of 102.13 Da and a purity of ≥99%.
CAS Number
109-52-4
Product Name Alternative
Pentanoic acid
Purity
≥99%
Solubility
50mg/ml in water
Smiles
C (C (=O) O) CCC
Molecular Formula
C5H10O2
Molecular Weight
102.13
Storage Conditions
Storage Temp: Ambient
Notes
For research use only.

Chemical Information

Pentanoic Acid

Valeric acid is a straight-chain saturated fatty acid containing five carbon atoms. It has a role as a plant metabolite. It is a short-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a valerate.

CAS Number109-52-4
PubChem CID7991
IUPAC Namepentanoic acid
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity59
SMILES
CCCCC(=O)O
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentanoic Acid
CAS: 109-52-4
CID: 7991
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.1
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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