3-Butynoic acid

CAT: 0024-sc-475276Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475276Size:250 mg

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CAS Number

2345-51-9

Chemical Information

3-Butynoic Acid

3-butynoic acid is a monocarboxylic acid consisting of acetylene carrying a carboxymethyl group. It is a monocarboxylic acid and a terminal acetylenic compound. It is a conjugate acid of a 3-butynoate.

CAS Number	2345-51-9
PubChem CID	137547
IUPAC Name	but-3-ynoic acid
Molecular Formula	C4H4O2
Molecular Weight	84.07
XLogP	0
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	95

SMILES

C#CCC(=O)O

InChI

InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)

InChIKey

KKAHGSQLSTUDAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2345-51-9

CID: 137547

Formula: C4H4O2

MW: 84.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	84.07
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	84.021129366
Monoisotopic Mass	84.021129366
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	95.4
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

Related Products

Catalog	Name
sc-256109	2-Butynoic acid
sc-267540	4-Hydroxy-2-butynoic acid
sc-503454	4- (Benzyloxy) -2-butynoic Acid Methyl Ester
sc-475850	4,4,4-Trifluoro-2-butynoic Acid Methyl Ester
sc-256487	3-Butenoic acid
sc-344521A	3- (benzoylamino) butanoic acid
sc-344521	3- (benzoylamino) butanoic acid
sc-279212C	Indole-3-butyric Acid
sc-260608	3- (Trifluoromethyl) butyric acid
sc-279212	Indole-3-butyric Acid

Alternative Products

Catalog	Name
TRC-B700503-500MG	3-Butynoic Acid
HY-W004784R	3-Butynoic acid (Standard)
231770-01	3-Butynoic acid 98+%
902023	2‐BUTYNOIC ACID
261988-01	2-Butynoic acid
OR1079047-01	2-Hydroxy-3-butynoic Acid
TRC-B809727-5MG	2-Butynoic Acid-d3
B31305-01	2-Butynoic acid 98%
OR1098070-01	4-Phenoxy-2-butynoic acid
272625-01	2,2-Dimethyl-3-butynoic acid methyl ester

3-Butynoic acid

Chemical Information

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