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23327-19-7 | Pentanoic acid, 4-hydroxy-4-methyl-
CAS No: 23327-19-7 Catalog No: AG002MW0 MDL No:
Product Description
Catalog Number:
AG002MW0
Chemical Name:
Pentanoic acid, 4-hydroxy-4-methyl-
CAS Number:
23327-19-7
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
4-hydroxy-4-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChI Key:
PQJUMPXLDAZULJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(O)(C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| A tertiary alcohol analog of gamma-hydroxybutyric acid as a specific gamma-hydroxybutyric acid receptor ligand. | The Journal of pharmacology and experimental therapeutics 20030501 |
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