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
-3.2301 -0.0957 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 0.3824 -0.4931 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8229 -0.3778 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -1.6154 -0.0412 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 0.2205 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 -0.5082 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 0.1115 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -0.5685 0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 1.4751 0.1786 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6934 0.4177 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8224 0.2070 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3116 -1.1925 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6049 1.2846 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4384 -1.5560 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8993 1.8153 -0.3029 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