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
-3.1392 -0.8751 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4068 0.1047 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9343 1.2739 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 -0.2574 -0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6009 -1.3825 -0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 0.5991 -1.3842 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9153 0.2824 -1.9021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8990 -0.0214 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6980 0.9247 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4314 0.2295 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0588 -1.0745 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1489 -1.1825 -0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 -1.2182 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0859 -0.4664 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3584 -1.7610 0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8980 1.5433 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 1.9859 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2741 1.1714 -2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9160 -0.5629 -2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7627 1.9985 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1878 0.6117 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 -1.9233 1.2586 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