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
4.9084 0.0303 0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4935 0.0212 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 -0.3062 1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7279 0.3815 -0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 0.4321 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 0.1489 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6222 -0.2051 1.2769 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9399 0.2690 -0.2211 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 -0.0019 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2487 0.2234 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1262 -0.7535 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4478 -0.2166 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3047 0.6559 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0675 0.7447 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 0.6901 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9342 -1.0201 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5167 1.1974 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8607 -1.7243 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0624 -0.5667 -0.5873 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