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
-2.6072 -1.7827 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2604 -0.8875 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2063 -0.2851 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 -0.6708 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 0.0957 1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1732 -1.2741 -0.2214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5369 -1.0517 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 0.4203 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0362 1.0350 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 2.3822 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5758 2.5293 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9957 1.3625 -0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5154 -2.8303 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6291 -1.5829 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 -1.6007 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 0.3615 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2575 -0.4068 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1947 -1.6139 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -1.3734 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 0.5438 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6592 3.1341 0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1512 3.4954 -0.6545 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