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
-3.2687 -0.1153 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9419 -0.5026 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8891 0.2192 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 1.1873 -0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 -0.1613 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 0.5009 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 0.1400 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8507 0.7781 -0.4468 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1806 -0.9278 0.8744 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3192 0.9806 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4036 -0.3738 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9952 -0.6584 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6993 -0.9929 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2920 1.3347 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0902 -1.4087 0.8464 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