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
2.9680 0.3108 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5550 0.2099 -0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 -0.9267 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5721 -1.9114 0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 -0.9196 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1993 0.1755 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6300 0.2951 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3409 -0.6770 0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 1.4603 -0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3605 -0.2311 0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2271 1.3948 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -0.1375 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -1.8142 0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6101 1.0606 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1830 1.7105 -0.3318 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