Monomers
Allyl hydrogen maleate
Identifiers
IUPAC name
(Z)-4-oxo-4-prop-2-enoxybut-2-enoic acid
InchI
InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3-
InchI Key
PEKZMKOVRVVTTN-ARJAWSKDSA-N
SMILES
OC(=O)/C=C\C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)C=CC(=O)O
Isomeric SMILES
C=CCOC(=O)/C=C\C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8O4
Heavy Atom Count
11
Molecular Weight
156.137
Exact Molecular Weight
156.0423
Valence Electrons
60
Radical Electrons
0
tPSA
63.6
MolLogP
0.3564
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
19 18 0 0 0 0 0 0 0 0999 V2000
4.3796 0.2299 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 0.2104 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1945 0.0998 -1.1905 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1491 0.3173 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4339 0.2975 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0169 0.4060 -1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7364 0.3907 -2.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6421 0.5270 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0440 0.6360 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7561 -0.5471 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5040 -1.2796 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3169 -0.1832 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6918 0.4099 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9065 0.2013 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4515 1.5485 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2393 0.7269 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6680 -0.8140 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5928 -1.0185 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0445 -2.1589 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 2 3
1 12 1 0
4 13 1 0
5 14 1 0
9 15 1 0
9 16 1 0
10 17 1 0
11 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers