Monomers
Furfuryl acrylate
Identifiers
IUPAC name
furan-2-ylmethyl prop-2-enoate
InchI
InChI=1S/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2
InchI Key
BHPLCUDMENJIRS-UHFFFAOYSA-N
SMILES
C=CC(=O)OCc1ccco1
Canonical SMILES
C=CC(=O)OCC1=CC=CO1
Isomeric SMILES
C=CC(=O)OCC1=CC=CO1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O3
Heavy Atom Count
11
Molecular Weight
152.149
Exact Molecular Weight
152.0473
Valence Electrons
58
Radical Electrons
0
tPSA
39.44
MolLogP
1.5088
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
3.4357 1.0302 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7862 -0.1102 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5583 -0.1857 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0775 0.8031 0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8322 -1.3809 0.2096 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 -1.5035 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4042 -0.5950 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3809 0.1768 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5811 0.8615 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2929 0.4693 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 -0.3666 0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0426 1.8911 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 1.1637 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2042 -0.9543 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2096 -1.3745 2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 -2.5351 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5520 0.2118 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9074 1.5530 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3016 0.8455 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 7 1 0
1 12 1 0
1 13 1 0
2 14 1 0
6 15 1 0
6 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers