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
-3.3105 0.5215 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 0.7833 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9283 -0.1085 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2374 -1.2321 0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 0.2553 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4694 -0.5530 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8324 -0.1589 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1442 0.9654 -0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 -1.0342 0.0873 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5032 -0.3330 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9160 0.4068 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7392 1.4251 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6858 1.2475 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2745 -1.5294 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8069 -0.6559 0.3044 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