4-Methoxybut-2-ynoic acid

CAT: 0127-OR1057814-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1057814-01Size:100 mg

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CAS Number

24303-64-8

MDL Number

MFCD19228125

Purity

97%

Smiles

O=C(O)C#CCOC

Chemical Information

4-Methoxybut-2-ynoic acid

CAS Number	24303-64-8
PubChem CID	11126213
IUPAC Name	4-methoxybut-2-ynoic acid
Molecular Formula	C5H6O3
Molecular Weight	114.10
XLogP	0.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	136

SMILES

COCC#CC(=O)O

InChI

InChI=1S/C5H6O3/c1-8-4-2-3-5(6)7/h4H2,1H3,(H,6,7)

InChIKey

ATFQGKWMZOYASB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24303-64-8

CID: 11126213

Formula: C5H6O3

MW: 114.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.10
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	114.031694049
Monoisotopic Mass	114.031694049
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	136
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

Catalog	Name
OR1058767-01	4-Methoxybut-2-enoic acid
OR75898-01	(E) -4-Methoxybut-2-enoic acid
OR1005094-01	4-Hydroxybut-2-ynoic acid
OR480425-01	2-Aminopent-4-ynoic acid
OR86831-01	4- (Dimethylamino) but-2-ynoic acid
OR1036982	4- (Diethylamino) but-2-ynoic acid
OR89063	2-Hydroxypent-4-ynoic acid
OR79939-01	4,4-Dimethylpent-2-ynoic acid
OR86971-01	2,2-Dimethylpent-4-ynoic acid
OR1054132	2-Aminohex-4-ynoic acid hydrochloride

Catalog	Name
AK ML 0531-01	(E) -4-methoxybut-2-enoic acid
PDC73431-01	4-Cyclopropylbut-2-ynoic acid
EBA83475-01	2-Aminohex-4-ynoic acid
TRC-H977653-50MG	4-Hydroxybut-2-ynoic Acid
PCC91114-01	2-Cyclopropylpent-4-ynoic acid
HBA97841-01	4-Phenoxybut-2-ynoic acid
TRC-F202206-500MG	2-Fluorohex-4-ynoic acid
CCA41850	4,4-Dimethylpent-2-ynoic acid
TGA76294-01	4- (tert-Butoxycarbonylamino) but-2-ynoic Acid
432124-01	4-Dimethylaminobut-2-ynoic Acid Hydrochloride