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
-2.2161 1.4468 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0121 0.7295 0.2193 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -0.5016 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -0.8937 -0.8793 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1475 -1.3667 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3773 -1.2009 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 -0.1071 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3499 0.9019 0.9063 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3518 -0.1089 0.9048 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 0.7345 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1916 2.3175 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4533 1.8060 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0332 -2.3262 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1167 -2.0215 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6988 0.5903 1.5740 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