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
3.3262 0.3067 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0179 0.7992 -0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 -0.0247 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1668 -1.2487 0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4421 0.4338 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4587 -0.4004 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8238 0.0681 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1208 1.2556 -0.4541 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8706 -0.8300 -0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3272 -0.4247 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5670 -0.3134 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0684 1.0704 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 1.4677 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2814 -1.4530 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7757 -0.7066 -0.5132 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