Pantoic Acid

CAT: 1596-AR-P29451-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29451-02Size:25 Units

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CAS Number

470-29-1

Synonyms

2,4-dihydroxy-3,3-dimethylbutanoic acid; 2,4-dihydroxy-3,3-dimethylbutanoic acid

Molecular Formula

C6H12O4

Molecular Weight

148.16

API Name

Pantoic Acid

Chemical Information

2,4-Dihydroxy-3,3-dimethylbutanoic acid

Pantoic acid is a dihydroxy monocarboxylic acid.

CAS Number	470-29-1
PubChem CID	848
IUPAC Name	2,4-dihydroxy-3,3-dimethylbutanoic acid
Molecular Formula	C6H12O4
Molecular Weight	148.16
XLogP	-0.3
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	130

SMILES

CC(C)(CO)C(C(=O)O)O

InChI

InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)

InChIKey

OTOIIPJYVQJATP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 470-29-1

CID: 848

Formula: C6H12O4

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	148.07355886
Monoisotopic Mass	148.07355886
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P03267-01	Pyrazinoic Acid (Pyrazinecarboxylic Acid)
AR-H01202-01	Hydroquinonesulfonic Acid (Dobesilic Acid)
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-F09706-01	Dodecanoic Acid-d2 (Lauric Acid-d2)
AR-E09459-01	9 (Z) -Eicosenoic Acid (Gadoleic Acid)
AR-P03268-01	Pyrazinoic Acid-d3 (Pyrazinecarboxylic Acid-d3)
AR-M01254-01	Mefenamic Acid Impurity D (Benzoic Acid)
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)

Catalog	Name
HY-W399035-01	Pantoic acid
TYD-04551-01	Pantoic acid sodium
HY-W579377-01	Pantoic acid (sodium)
sc-478117	(RS) -Pantoic Acid Sodium Salt
TRC-P181505-250MG	(R)-Pantoic Acid Sodium Salt
166195	(R) -Pantoic Acid Sodium Salt
MBS6111800-01	(RS)-Pantoic Acid Sodium Salt
GTR19281198-01	(RS) -Pantoic acid sodium monohydrate
TRC-P181500-500MG	(RS)-Pantoic Acid Sodium Salt Monohydrate
OR1071368-01	Acid-apeg6-acid