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
2.8843 -0.1691 -1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 0.3712 -0.7302 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6787 -0.2983 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5338 -1.3929 -1.1392 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 0.1973 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 -0.4240 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5437 0.1125 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6269 -0.4437 1.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3165 1.3382 2.0564 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4973 -0.2636 -2.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7141 0.5566 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2061 -1.1567 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2231 1.1350 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 -1.3618 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0877 1.7993 2.5252 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