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
2.9106 0.4029 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9073 -0.5705 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 -0.2221 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3882 0.9838 -0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 -1.1999 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7485 -1.0598 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4743 0.1293 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7743 0.0877 -0.1943 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9904 1.3845 -0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 0.6138 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8441 0.0318 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6557 1.3532 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 -2.2113 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3686 -1.9643 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3606 2.2409 0.0138 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