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Ethyl 2-Hydroxy-3-butynoate

CAT: 0127-OR1077897Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1077897Size:1 g
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CAS Number
18418-08-1
Synonyms
2-Hydroxy-3-butynoic Acid Ethyl Ester
MDL Number
MFCD00191654
Purity
>95.0%
Smiles
CCOC (=O) C (C#C) O

Chemical Information

2-Hydroxy-3-butynoate
CAS Number18418-08-1
PubChem CID44123461
IUPAC Nameethyl 2-hydroxybut-3-ynoate
Molecular FormulaC6H8O3
Molecular Weight128.13
XLogP0.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity142
SMILES
CCOC(=O)C(C#C)O
InChI
InChI=1S/C6H8O3/c1-3-5(7)6(8)9-4-2/h1,5,7H,4H2,2H3
InChIKey
GDWLVFKOPXSIAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-butynoate
CAS: 18418-08-1
CID: 44123461
Formula: C6H8O3
MW: 128.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.13
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass128.047344113
Monoisotopic Mass128.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity142
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

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