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
-3.2804 1.0833 -0.2943 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6404 -0.1749 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9093 -0.3470 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7074 -1.2147 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 -1.1697 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 -0.1061 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 1.0446 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -0.3940 -0.1872 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7809 0.5896 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1208 -0.0392 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0625 0.4319 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9489 1.8377 -0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1466 -2.1850 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 -2.1426 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7400 1.4487 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5765 0.9832 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3238 -0.9020 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0283 -0.0623 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8926 1.3184 0.9420 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