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
-3.1050 0.3048 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 0.1089 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 0.4347 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0562 -0.4541 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 -0.6271 -1.4412 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 -0.8069 0.8264 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9000 -1.3617 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8228 -0.3520 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1797 -0.5267 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6245 0.6276 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5427 1.4574 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5044 0.8280 -0.2761 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 1.2071 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1910 0.4030 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9440 -0.5627 1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 0.2857 -2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9756 0.8493 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2351 -1.4613 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -2.3210 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8095 -1.3724 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6383 0.8873 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5860 2.4522 -1.2142 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