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
-3.3190 0.1199 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0539 0.6944 -0.0752 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9040 -0.0593 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 -1.2485 -0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4212 0.4709 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4787 -0.3081 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7922 0.1703 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9566 1.3473 0.7782 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9151 -0.6312 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8010 -0.2468 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1729 -0.7830 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9171 0.8622 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5681 1.4828 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3663 -1.3488 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6968 -0.5220 0.9380 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