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
-3.0316 0.3410 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6226 0.4236 -0.2647 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9088 -0.5200 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5346 -1.4070 1.0698 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 -0.4968 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2493 0.4119 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 0.4411 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3663 1.3173 -0.7132 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4219 -0.5058 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 1.3583 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3905 -0.2284 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4155 -0.1656 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0654 -1.2443 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 1.1605 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 -0.8857 0.2639 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