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
-3.0597 -0.1784 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 -0.6090 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1283 -0.6403 -0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0239 0.1733 -0.8472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0787 -0.0004 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 -0.9522 0.8157 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2026 0.9266 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2572 0.8189 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5835 0.1580 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5821 -0.1450 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3139 -0.9423 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8030 -0.1893 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 -1.6688 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2149 1.7428 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0974 1.4933 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2748 0.0129 1.4455 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