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
-3.0520 0.0433 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6733 0.0344 0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 0.0487 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2471 0.0696 -2.1886 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6675 0.0397 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1586 0.0173 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5937 0.0092 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0495 -0.0117 1.7901 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 0.0239 -0.4429 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5257 -0.9394 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5848 0.7999 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2261 0.2761 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3192 0.0516 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 0.0060 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3535 -0.4688 -0.3382 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