Monomers
Monomethyl maleate
Identifiers
IUPAC name
(Z)-4-methoxy-4-oxobut-2-enoic acid
InchI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
InchI Key
NKHAVTQWNUWKEO-IHWYPQMZSA-N
SMILES
COC(=O)/C=C\C(=O)O
Canonical SMILES
COC(=O)C=CC(=O)O
Isomeric SMILES
COC(=O)/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H6O4
Heavy Atom Count
9
Molecular Weight
130.099
Exact Molecular Weight
130.0266
Valence Electrons
50
Radical Electrons
0
tPSA
63.6
MolLogP
-0.1998
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
3.2298 -0.3949 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8470 -0.4358 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8878 0.1214 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2344 0.7184 -1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5208 0.0145 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 0.5432 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 0.4366 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7465 0.9435 -1.0021 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2759 -0.2192 0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6655 0.2866 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6270 -1.4117 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5019 -0.0740 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8239 -0.5020 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1619 1.0627 -1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1491 -0.6757 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
5 13 1 0
6 14 1 0
9 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers