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Pivalic Acid

CAT: 1596-AR-P29447-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
75-98-9
Synonyms
Trimethylacetic acid; 2,2-Dimethylpropionic acid; TRIMETHYLACETIC ACID (PIVALIC ACID) ; A, A-DIMETHYLPROPIONIC ACID;2,2-Dimethylpropionic acid, Trimethylacetic acid; Pivalic acid ,99%; PIVALIC ACID CRUDE; trimethyl-aceticaci; Trimethylessigs?ure; Trimethylmethanecarboxylicacid
Molecular Formula
C5H10O2
Molecular Weight
102.13
API Name
Pivalic Acid

Chemical Information

Pivalic acid

Pivalic acid is a branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. It is a short-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a pivalate.

CAS Number75-98-9
PubChem CID6417
IUPAC Name2,2-dimethylpropanoic acid
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP1.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity78
SMILES
CC(C)(C)C(=O)O
InChI
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey
IUGYQRQAERSCNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pivalic acid
CAS: 75-98-9
CID: 6417
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity78.6
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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