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
-2.9703 0.2435 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8815 -0.6615 -0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5314 -0.2110 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4361 1.0327 -0.1653 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 -1.1614 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -0.9609 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 0.3020 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7706 0.2533 -0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9496 1.5570 -0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 0.3931 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6458 1.1728 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8175 -0.1603 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1895 -2.2278 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4456 -1.8827 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4309 2.3111 0.3002 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