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
3.0244 0.3733 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 0.3290 0.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8793 -0.6379 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5159 -1.4526 -1.3107 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5691 -0.7325 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2381 0.0952 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 0.0305 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3308 -0.8630 -0.1529 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 0.9102 1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5497 -0.4862 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3711 1.2983 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3308 0.5228 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0895 -1.5090 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6986 0.8833 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3132 1.2385 0.9957 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