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
2.9013 0.2680 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8621 -0.6507 -0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 -0.2333 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3684 0.9921 -0.1678 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -1.1604 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7631 -0.9936 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 0.2744 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6960 0.2602 0.5858 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 1.5217 0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.1942 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3835 0.5216 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6595 -0.1160 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1823 -2.2325 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4186 -1.9135 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2649 2.2677 0.7793 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