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
-3.1773 -0.6517 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.7276 0.4664 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8885 0.0254 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3445 0.7937 -1.1535 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 -0.0136 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.7094 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 0.6330 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 1.3209 -1.2613 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3442 -0.2088 0.3813 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4947 0.3983 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 -1.0344 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4803 -1.2663 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9298 -0.6823 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9823 1.3664 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2434 -0.6625 0.2142 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