Monomethyl Itaconate

CAT: 0024-sc-489657Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-489657Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

7338-27-4

Chemical Information

4-Methyl hydrogen 2-methylenesuccinate

4-Methyl hydrogen 2-methylenesuccinate has been reported in Arabidopsis thaliana with data available.

CAS Number	7338-27-4
PubChem CID	81791
IUPAC Name	4-methoxy-2-methylidene-4-oxobutanoic acid
Molecular Formula	C6H8O4
Molecular Weight	144.12
XLogP	0.2
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	171

SMILES

COC(=O)CC(=C)C(=O)O

InChI

InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)

InChIKey

OIYTYGOUZOARSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7338-27-4

CID: 81791

Formula: C6H8O4

MW: 144.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	144.04225873
Monoisotopic Mass	144.04225873
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	171
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-358369	Monoperfluorooctyl itaconate
sc-489747	Dibutyl Itaconate
sc-489760	Monobutyl Itaconate
sc-489748	Diethyl Itaconate
sc-239775A	Dimethyl itaconate
sc-239775	Dimethyl itaconate
sc-263047A	Bis (hexafluoroisopropyl) itaconate
sc-326314	Bis (perfluorooctyl) itaconate
sc-263047	Bis (hexafluoroisopropyl) itaconate
sc-487364	Bis (2-ethylhexyl) Itaconate