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
3.3513 -0.2581 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0362 -0.1713 0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 -0.0690 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0799 -0.0529 -1.5163 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4464 0.0191 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4963 0.1156 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 0.2039 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0417 0.1904 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9474 0.3057 -0.8222 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4409 -0.6200 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8839 -1.0099 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8903 0.6947 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 0.0072 1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 0.1306 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8455 0.5140 -0.4350 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