CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 65 - 67 °C |
LogP | 6.300 |
Kovats Retention Index | 985.2 |
COMPUTED DESCRIPTORS
Molecular Weight | 118.13 g/mol |
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XLogP3 | -0.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 118.062994177 g/mol |
Monoisotopic Mass | 118.062994177 g/mol |
Topological Polar Surface Area | 57.5 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 95.8 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-hydroxyisovaleric acid is a 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. It has a role as a human metabolite. It is functionally related to a butyric acid and an isovaleric acid. It is a conjugate acid of a 3-hydroxyisovalerate.