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
-3.2466 -0.1037 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8773 0.0398 0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8540 -0.0571 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2296 -0.2785 -1.4295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5481 0.0884 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4660 -0.0125 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 0.1308 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7202 0.0270 -1.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 0.3736 0.8075 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4293 0.1753 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8047 0.6404 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6486 -1.1004 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8709 0.2777 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1568 -0.2014 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1666 0.0005 1.1229 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