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2-(Hydroxymethyl)butanoic Acid

CAT: 0572-TRC-H946455-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946455-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4374-62-3
Hazard Statement
Causes skin irritation
Smiles
CCC(CO)C(=O)O
Molecular Formula
C5 H10 O3
Molecular Weight
118.13
InChI
InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
Additionnal Information
IUPAC name: 2-(hydroxymethyl)butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Ethyl-3-hydroxypropionic acid

2-ethylhydracrylic acid is a branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. It has a role as a human metabolite. It is a hydroxy fatty acid, a short-chain fatty acid and a branched-chain saturated fatty acid. It is a conjugate acid of a 2-ethylhydracrylate.

CAS Number4374-62-3
PubChem CID188979
IUPAC Name2-(hydroxymethyl)butanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity79
SMILES
CCC(CO)C(=O)O
InChI
InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
ZMZQVAUJTDKQGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-3-hydroxypropionic acid
CAS: 4374-62-3
CID: 188979
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity79.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes