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
-3.2689 0.0802 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9320 0.5044 0.2627 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 -0.2682 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1315 -1.3644 -0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 0.1723 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5337 -0.5436 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9223 -0.1510 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8894 -0.8434 -0.5457 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1777 1.0638 0.4384 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6301 -0.3026 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4005 -0.6051 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8752 1.0026 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 1.1212 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3495 -1.4948 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9937 1.6287 0.2163 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