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
2.4998 1.1776 1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.5331 1.5724 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3806 0.1119 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7242 0.3827 -0.5678 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 -0.5471 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7828 -0.9958 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9131 -0.9526 -1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9799 -1.4712 -1.5973 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0533 -0.4323 -2.0172 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4171 1.5462 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6844 2.1041 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3998 0.5440 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 -0.6868 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 -1.4749 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3624 0.1611 -2.7966 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