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
-3.0964 -0.0389 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 0.1910 -0.0586 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 -0.8322 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2001 -1.9938 0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6642 -0.5899 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1467 0.6365 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 0.8999 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 2.0457 0.0591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4517 -0.1759 0.2737 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3344 -1.1105 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4575 0.5408 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5732 0.4523 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3201 -1.4424 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4558 1.4534 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4526 -0.0359 0.4476 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