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
-2.5501 -0.7108 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1989 -0.3415 0.2102 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8032 0.6276 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7777 1.1438 -1.3361 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5542 1.0751 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 0.6967 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 -0.2887 0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 -0.9596 1.1692 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2322 -0.5544 1.1265 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6526 -1.5125 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1371 0.1634 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9310 -1.0404 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6515 1.8834 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 1.2222 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 -1.4044 1.6448 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