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
3.0254 0.2672 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 0.4209 0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8486 -0.6928 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 -1.7640 -0.2155 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 -0.5954 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 0.5369 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 0.6394 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1749 1.7134 0.7128 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4056 -0.4404 0.0542 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2760 -0.5839 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3161 -0.0791 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5500 1.1941 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1622 -1.4594 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 1.3944 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3508 -0.5512 0.3658 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