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
-3.0558 0.3964 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9586 -0.2025 -0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6323 -0.0439 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6247 0.6520 0.8312 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4634 -0.6748 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7120 -0.6268 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2503 0.0587 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6546 0.7259 1.4404 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6582 -0.0228 0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8463 0.7633 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3831 1.2579 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9393 -0.2789 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1905 -1.2669 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4524 -1.1890 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0588 0.4513 1.5640 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