Monomers
Furfuryl methacrylate
Identifiers
IUPAC name
furan-2-ylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C9H10O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5H,1,6H2,2H3
InchI Key
DWXAVNJYFLGAEF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCc1ccco1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CO1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CO1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O3
Heavy Atom Count
12
Molecular Weight
166.176
Exact Molecular Weight
166.063
Valence Electrons
64
Radical Electrons
0
tPSA
39.44
MolLogP
1.8989
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
22 22 0 0 0 0 0 0 0 0999 V2000
-2.3913 1.4744 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 0.0342 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8934 -0.3735 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5573 -0.9245 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7919 -2.1372 0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2447 -0.5270 0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8577 -1.3755 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1044 -0.5754 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1852 0.7877 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 1.1078 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2024 -0.0799 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3252 -1.0545 -0.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8805 2.0223 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9492 1.7975 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3345 1.7249 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7348 0.2847 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1334 -1.4324 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -2.0952 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8698 -1.9421 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3849 1.5001 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0044 2.0574 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2753 -0.2738 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 8 1 0
1 13 1 0
1 14 1 0
1 15 1 0
3 16 1 0
3 17 1 0
7 18 1 0
7 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers