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
-2.6298 1.1448 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 -0.1707 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2933 -0.9309 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 0.0189 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.3450 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3208 -1.5994 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 0.5969 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4388 0.1793 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5704 1.6661 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7244 1.7330 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4848 -0.7638 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 -1.4965 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 -1.6617 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 1.6616 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6677 -0.8792 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2826 0.8466 -0.1651 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