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
-3.3407 0.3529 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1087 -0.2118 -0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8812 0.2431 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8713 1.2016 0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3875 -0.3401 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5270 0.1213 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 -0.4532 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -1.4261 -1.2728 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0163 0.0110 0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6587 1.1972 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0954 -0.4572 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3188 0.6670 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4192 -1.1725 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.9384 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7610 -0.6716 0.2179 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