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
2.4927 0.7708 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1643 0.3544 -0.2434 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7532 -0.9547 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6954 -1.7700 -0.6636 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 -1.4552 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 -0.8217 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 0.5763 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9556 1.4745 0.4067 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1017 1.0854 0.8519 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7881 1.4076 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1779 -0.0935 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5625 1.3499 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6500 -2.5658 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5580 -1.4427 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3198 2.0848 0.7414 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