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
-3.1944 0.8363 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8603 1.1218 0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8536 0.1829 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1403 -0.9798 0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5118 0.4562 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4324 -0.4860 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7983 -0.2283 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6560 -1.1456 -0.5679 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1924 1.0425 -1.0247 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3379 -0.2794 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3732 1.2489 1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.2161 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 1.4334 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1716 -1.4813 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1334 1.3802 -0.8022 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