COC(=O)CC(=C)C(=O)OC
CAS: 617-52-7
Name: dimethyl 2-methylidenebutanedioate
SMILES: COC(=O)CC(=C)C(=O)OC

Molecular Processing

Molecular formula
C7H10O4
Molecular weight
158.15
Exact mass
158.0579
XLogP
0.28
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
37.79

Supplementary Information

InChIKey: ZWWQRMFIZFPUAA-UHFFFAOYSA-N
Synonyme
Dimethyl itaconate617-52-7Dimethylitaconatedimethyl 2-methylidenebutanedioate11JIB0YI93Butanedioic acid, 2-methylene-, 1,4-dimethyl esterNSC-9385DTXSID80210701NSC-385RefChem:134250DTXCID70133192210-519-6Dimethyl 2-methylenesuccinate1,4-dimethyl 2-methylidenebutanedioateItaconic acid dimethyl esterButanedioic acid, methylene-, dimethyl esterItaconic acid, dimethyl esterMFCD00008446Succinic acid, methylene-, dimethyl esterNSC9385Methylenesuccinic acid, dimethyl ester2-Methylene-succinic acid dimethyl ester25587-85-3dimethyl 2-methylenebutane-1,4-dioateCCRIS 7232dimethyl 2-methylenebutanedioateEINECS 210-519-6AI3-16883DIMETHYL-ITACONATEDimethyl itaconate, 97%
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