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
1.9263 -1.4854 2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8519 -1.3714 1.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6497 -0.1616 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4489 0.8014 0.8667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4320 0.0191 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6247 1.1592 -0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7064 1.3451 -1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 2.4534 -2.4855 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 0.2752 -2.1839 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6090 -2.1686 2.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -0.4819 2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8568 -1.8546 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0877 -0.8059 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0367 1.9815 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 0.2944 -3.0293 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