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
3.2514 -0.1765 0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9960 0.3026 -0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 -0.2982 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8366 -1.3466 0.9806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4946 0.2072 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 -0.4174 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8716 0.1235 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 -0.4504 -0.0905 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9109 1.2603 -1.1447 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9034 -0.2319 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6937 0.5728 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2031 -1.1894 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5542 1.0924 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 -1.3185 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7077 1.8703 -1.1752 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