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
3.3152 0.0480 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9812 0.5016 0.5471 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9094 -0.1926 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 -1.2981 -0.5241 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 0.3396 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4822 -0.3281 -0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8076 0.2309 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0131 1.3396 0.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8823 -0.4594 -0.8592 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8739 0.3953 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8195 0.5010 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4158 -1.0428 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 1.2919 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 -1.2835 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7888 -0.0434 -0.9982 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