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
2.6675 -0.3292 -1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 -1.0084 -1.0086 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4353 -0.3418 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 0.8919 -0.3545 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7050 -1.0823 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 -0.5785 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 0.7584 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 1.0108 1.5206 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3741 1.8722 0.7008 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4118 -0.2075 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3924 0.7089 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 -0.8975 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6516 -2.1838 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5127 -1.3644 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 2.7511 0.4192 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