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
-3.3509 0.1414 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 0.4243 -0.5034 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9113 -0.0904 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0831 -0.8518 1.1162 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 0.2405 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4558 -0.2660 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8252 0.0653 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0248 0.8325 -1.1171 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9511 -0.4389 0.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4555 -0.9367 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0401 0.3431 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 0.7036 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5421 0.8952 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -0.9191 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8950 -0.1431 0.2055 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