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
2.9973 0.1900 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6102 0.1651 -0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 -0.8521 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5393 -1.8322 0.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 -0.7746 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1960 0.2678 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6615 0.3184 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2924 -0.6152 0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4022 1.3822 -0.3504 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2691 -0.2006 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5570 -0.4129 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3573 1.2566 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0764 -1.5805 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 1.0933 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3248 1.5949 0.0005 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