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
-3.0676 0.0945 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 0.2691 -0.0802 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7811 -0.6377 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 -1.5630 1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6510 -0.5093 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 0.4500 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 0.6020 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 1.5249 -1.4260 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4854 -0.3026 -0.1583 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2342 -0.9950 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3483 0.5826 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6693 0.5065 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2958 -1.2392 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 1.1624 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 0.0549 0.1097 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