4-Pentynoic Acid Ethyl Ester

CAT: 0024-sc-478898Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478898Size:500 mg

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CAS Number

63093-41-4

Chemical Information

4-Pentynoic acid ethyl ester

CAS Number	63093-41-4
PubChem CID	143950
IUPAC Name	ethyl pent-4-ynoate
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	129

SMILES

CCOC(=O)CCC#C

InChI

InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h1H,4-6H2,2H3

InChIKey

WXFVBLCWAIVAFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63093-41-4

CID: 143950

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	129
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
sc-478694	3-Pentynoic Acid Ethyl Ester
sc-477906	2-Pentynoic Acid Ethyl-d5 Ester
sc-478884	3-Pentynoic Acid Ethyl-d5 Ester
sc-478893	4-Pentynoic Acid Methyl Ester
sc-478895	4-Pentynoic Acid Methyl Ester-d3
sc-479336	2-Phosphono-4-pentynoic Acid Triethyl Ester
sc-256820	4-Pentynoic acid
sc-478886	3-Pentynoic Acid Methyl Ester
sc-478853	4-Pentenoic acid ethyl-d5 ester
sc-477905	2-Pentynoic Acid Methyl Ester

Catalog	Name
NCA09341-01	4-Pentynoic Acid Ethyl Ester
TRC-P284912-50MG	4-Pentynoic Acid Ethyl Ester-d5
TRC-P284855-500MG	3-Pentynoic Acid Ethyl Ester
419051-01	2-Pentynoic Acid Ethyl Ester
419052-01	2-Pentynoic Acid Ethyl-d5 Ester
426585-01	3-Pentynoic Acid Ethyl-d5 Ester
433347-01	4-Pentynoic Acid Methyl Ester
OR471244-01	4-pentynoic acid succinimidyl ester
A8146-25	Pentynoic acid STP ester
433348-01	4-Pentynoic Acid Methyl Ester-d3