2-Hydroxy-3-butynoic acid

HCID 170267

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 38628-65-8
Standard SMILES: C#CC(O)C(=O)O
InChIKey: LWNHDEQKHFRYMD-UHFFFAOYSA-N
Molecular formula: C4H4O3
Average molar mass: 100.07 g/mol
Monoisotopic mass: 100.01604399

Names & identifiers

Preferred name: 2-Hydroxy-3-butynoic acid
IUPAC: 2-hydroxybut-3-ynoic acid
English name: 2-hydroxy-3-butynoic acid
Molecular weight: 0

Names & synonyms

2-Hydroxy-3-butynoic acid38628-65-8DTXSID00276602RefChem:87378DTXCID10227867680-011-02-hydroxybut-3-ynoic acid3-Butynoic acid, 2-hydroxy-40027-75-6MFCD00671546alpha-Hydroxybutynoate2-hydroxybut-3-ynoicacid

Show more names

SCHEMBL40262DTXSID20960490LWNHDEQKHFRYMD-UHFFFAOYSA-NAKOS006223025AS-58499SY053485CS-0254224H0905

Database identifiers

CAS: 38628-65-8、40027-75-6
PubChem CID: 170267
EC Number: 680-011-0
Nikkaji: J253.676E

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 118

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.