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
3.2638 0.2111 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0151 -0.2779 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 0.3074 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8782 1.3342 -0.8784 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4774 -0.2370 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 0.3517 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9090 -0.1485 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9558 0.4409 -0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0307 -1.2612 1.0961 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9568 0.1005 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2699 1.2991 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7331 -0.3867 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5572 -1.1177 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5403 1.2337 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8521 -1.8496 1.1536 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