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
3.1964 0.2865 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 0.2840 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9054 -0.0546 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3231 -0.3990 1.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5219 -0.0289 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4082 -0.3506 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 -0.3229 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6533 -0.6386 1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3954 0.0445 -0.6138 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5368 0.5121 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6426 -0.6844 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5786 1.0780 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8755 0.2668 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0450 -0.6475 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2285 0.6545 -0.6414 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