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
3.1991 -0.6485 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 -0.0224 0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7396 -0.4839 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6376 -1.5728 -0.8549 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4711 0.2474 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6779 -0.1744 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8378 0.5806 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9952 0.1809 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6853 1.7747 0.9478 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1622 -1.3244 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6329 -1.2056 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9507 0.1561 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3368 1.1938 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8153 -1.0962 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4965 2.3948 0.9877 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