Methyl 3-butenoate

CAT: 0024-sc-257751Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257751Size:1 g

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CAS Number

3724-55-8

Chemical Information

Methyl 3-butenoate

CAS Number	3724-55-8
PubChem CID	77314
IUPAC Name	methyl but-3-enoate
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	0.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	76

SMILES

COC(=O)CC=C

InChI

InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3

InChIKey

GITITJADGZYSRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3724-55-8

CID: 77314

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	76.1
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-250354	Methyl 3-methyl-2-butenoate
sc-482810	Methyl-d3 3-methyl-2-butenoate
sc-257755	Methyl 3-trimethylsiloxy-2-butenoate
sc-486882	Methyl DL-2-Hydroxy-3-butenoate
sc-498647	Ethyl-d5 3-Methyl-2-butenoate
sc-218381	Ethyl 3-Methyl-2-butenoate-d6
sc-234932	Ethyl 2-cyano-3-methyl-2-butenoate
sc-250337	Methyl 2-bromo-2-butenoate
sc-207607	(E) -Ethyl 4-Bromo-3-methyl-2-butenoate
sc-487717	Methyl (E) -4-Chloro-3-methoxy-2-butenoate

Catalog	Name
TRC-M322530-5G	Methyl 3-Methyl-2-butenoate
TRC-M322537-250MG	Methyl 3-Methyl-2-butenoate-D7
456033	Methyl-d3 3-Methyl-2-butenoate
164085	Ethyl 3-Methyl-2-butenoate
AR-B08139-01	Methyl 3-Methoxy-2-Butenoate
TRC-E925068-100MG	Ethyl-d5 3-Methyl-2-butenoate
TRC-E925067-5MG	Ethyl 3-Methyl-2-butenoate-d6
TRC-E925063-100MG	Ethyl 3-Methyl-2-butenoate-d7
OR470596	Ethyl 3-Methyl-2-oxo-3-butenoate
OR97956	E-Methyl 3-methyl-4-oxo-2-butenoate