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
3.0318 0.5147 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6178 0.3951 0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9407 -0.7663 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6108 -1.7564 0.6992 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5034 -0.9050 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2236 0.1310 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6684 0.0836 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2811 -0.9801 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4229 1.1710 -0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4121 0.8210 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4995 -0.4363 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2084 1.3454 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 -1.8057 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 1.0809 -0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4451 1.1071 -0.7988 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