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
2.6783 0.7587 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 -0.2956 -0.8620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5201 -0.1427 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4385 0.9458 0.4479 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 -1.1884 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6159 -1.2058 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 -0.1979 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4113 -0.4569 1.6483 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7391 1.0103 1.5764 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2008 1.7524 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4483 0.6452 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1264 0.7194 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1787 -2.0726 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2376 -2.1470 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2881 1.8752 1.6296 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