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
2.4392 -1.7751 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3678 -0.8618 0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1901 -1.2172 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 -2.3902 -0.7098 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8804 -0.2198 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.0099 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 1.9516 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8720 1.6007 -0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7646 3.2740 0.2830 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3956 -1.2703 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2068 -2.3770 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4253 -2.4395 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8163 -0.5049 -0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1960 1.2462 0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4006 3.9735 -0.0979 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