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
3.1852 0.8398 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7872 0.9863 -0.1672 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8845 -0.0281 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3373 -1.1110 0.5171 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 0.1020 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3601 -0.8854 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7986 -0.8060 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5719 -1.7646 0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3543 0.3664 -0.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6985 1.7263 -0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4377 0.8489 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5603 -0.0987 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9863 1.0273 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9741 -1.8188 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3020 0.6156 -0.3147 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