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
-4.2843 0.3120 -0.6718 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5523 0.8352 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1695 1.3975 1.2972 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0792 0.7270 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 0.1350 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0243 0.0487 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6921 -0.5252 -1.3967 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7738 0.5648 0.5749 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1591 0.4365 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 -0.9987 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -1.4540 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1500 0.7512 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 1.1568 1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9455 -0.2795 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6738 0.9810 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 0.8550 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2475 -1.6127 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6091 -0.8276 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5651 -2.5031 -0.4616 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