Monomers
Allyl acrylate
Identifiers
IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
-2.9757 0.7885 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8022 0.4888 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 -0.8951 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0552 -0.9892 -0.3228 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0327 -0.2496 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9466 0.5128 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2756 -0.3762 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 0.3192 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5619 -0.0085 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3762 1.7818 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2277 1.3118 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -1.5642 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1716 -1.2848 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3499 -1.0346 -1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2781 0.2273 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 0.9719 0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers