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
-3.2464 -0.0848 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8775 0.0644 -0.7973 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8838 -0.1136 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1968 -0.4079 1.3229 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.0417 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.1297 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8670 0.0211 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7798 -0.1399 1.1211 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2558 0.3440 -1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4119 0.2985 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 0.4748 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4587 -1.1801 -0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 0.2998 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1743 -0.3806 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1271 0.8923 -1.1009 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