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
3.0696 -0.3925 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6575 -0.3941 0.0759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 0.5948 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4528 1.5148 -1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6061 0.5719 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 -0.3932 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6840 -0.4483 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2271 -1.3911 1.0351 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4741 0.5436 -0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4986 0.6253 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4321 -1.0214 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4383 -0.8277 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1493 1.4017 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6587 -1.1794 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3526 0.7955 0.3368 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