γ-Methylene-γ-butyrolactone

CAT: 0024-sc-224096Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224096Size:1 g

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CAS Number

10008-73-8

Chemical Information

4-Hydroxy-4-pentenoic acid gamma-lactone

Alpha'-angelica lactone is a butan-4-olide and a gamma-lactone.

CAS Number	10008-73-8
PubChem CID	66201
IUPAC Name	5-methylideneoxolan-2-one
Molecular Formula	C5H6O2
Molecular Weight	98.10
XLogP	0.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	115

SMILES

C=C1CCC(=O)O1

InChI

InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2

InChIKey

SIFBVNDLLGPEKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 10008-73-8

CID: 66201

Formula: C5H6O2

MW: 98.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	98.036779430
Monoisotopic Mass	98.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	115
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
FM29544-01	α-Methylene-γ-butyrolactone
GTR19260839-01	γ-Methylene-γ-butyrolactone
259874-01	A-Methylene-gamma-butyrolactone
OR1078095	Gamma-Methylene-gamma-butyrolactone
OR928542-01	Alpha-Methylene-gamma-butyrolactone
469663-01	β-Butyrolactone
06504-72	Γ-Butyrolactone
261631-01	Gamma-Butyrolactone (γ-Butyrolactone) discontinued
602005	γ‐BUTYROLACTONE
M33299-01	Butyrolactone 3