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
3.0590 -0.0178 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8520 -0.7501 0.7751 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6214 -0.2090 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7681 0.9240 -0.2062 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 -0.9572 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7687 -0.6472 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1929 0.5660 -0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4368 1.5227 -0.9306 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5385 0.7791 -1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1570 0.7204 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1745 0.4748 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8812 -0.7611 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5370 -1.9946 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6120 -1.3837 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8431 1.7336 -1.1644 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