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
-2.9653 -0.5124 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 0.2739 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8891 0.1418 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 -0.1678 0.5393 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 0.6763 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 1.7247 -0.6762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 0.3684 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9680 -0.7472 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 -1.2702 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7309 -0.4313 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8056 1.0098 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 1.0721 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 -0.6793 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8534 1.0205 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4878 -1.4346 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9430 -1.0450 -0.8568 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