Allyl crotonate

CAT: 0024-sc-268490Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-268490Size:5 g

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CAS Number

20474-93-5

Chemical Information

2-Propen-1-yl 2-butenoate

CAS Number	20474-93-5
PubChem CID	227240
IUPAC Name	prop-2-enyl but-2-enoate
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	1.6
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	125

SMILES

CC=CC(=O)OCC=C

InChI

InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3

InChIKey

WNJBUWVXSNLWEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20474-93-5

CID: 227240

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	1.6
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	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-485529	Isopropyl Crotonate
sc-250368A	Methyl crotonate
sc-486981	Vinyl Crotonate
sc-486997	Isobutyl Crotonate
sc-239924	Ethyl crotonate
sc-250368	Methyl crotonate
sc-257585	Hexafluoroisopropyl crotonate
sc-485605	Butyl Crotonate
sc-497305	Ethyl-d5 crotonate
sc-486976	P-Tolyl Crotonate

Catalog	Name
A14160	Allyl crotonate
TRC-E678435-100G	Ethyl Crotonate
M14640-01	Methyl crotonate
V757033	Vinyl Crotonate
OR937997	Butyl crotonate
JH397973	Isopropyl Crotonate
PC5580	Hexafluoroisopropyl crotonate
P22740-01	Potassium crotonate
449750	Ethyl-d5 Crotonate
FM12165	Trans-Methyl crotonate