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
3.1299 0.8191 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7312 1.0060 -0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8984 -0.0931 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -1.2202 -0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 0.0876 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3574 -0.9304 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8013 -0.7410 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6162 -1.6731 0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2834 0.5539 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4152 -0.2409 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6160 1.3910 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5337 1.1488 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9379 1.0757 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9924 -1.9617 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2556 0.7781 0.0209 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