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
-3.3232 0.2696 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0879 -0.3256 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9049 0.1543 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 1.1563 0.6447 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.4041 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 0.1006 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8101 -0.4730 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9053 -1.4667 -1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9865 0.0477 0.2134 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1457 -0.0271 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2613 1.3847 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6445 -0.0803 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -1.2559 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4769 0.9538 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8093 -0.0343 -0.4008 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