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
-3.0353 1.5695 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3253 0.2793 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9548 -0.8338 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9796 0.2259 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 1.2799 -0.8651 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3817 -0.9877 -0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 -1.1403 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 -0.4533 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5202 -1.0894 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 -0.1601 1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1704 0.9957 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3251 0.7712 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 1.4288 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8342 1.6538 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3622 2.4334 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4897 -1.7834 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9463 -0.8014 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -2.2070 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9299 -0.6777 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3765 -2.1255 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -0.3248 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6493 1.9470 0.7285 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