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
-2.9998 -0.1855 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5929 -0.1554 0.2582 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9112 0.8153 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5516 1.7421 -0.9967 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 0.7568 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2179 -0.2090 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 -0.3097 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3416 0.5518 -0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3447 -1.3460 0.6007 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5119 -0.4317 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3284 0.8320 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2434 -0.9420 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0803 1.5106 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 -0.9862 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2766 -1.6431 0.3355 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