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
-3.1271 -0.7306 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 0.5250 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 1.6652 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9461 0.4595 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2425 1.4952 0.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4043 -0.7568 1.0122 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8995 -0.9723 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9409 -0.5312 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8099 -0.0226 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 0.2301 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -0.1497 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2179 -0.5888 0.7768 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5086 -0.7708 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5235 -1.6227 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9632 -0.6358 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9409 1.6692 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 2.5669 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1246 -0.4638 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 -2.0639 1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 0.1454 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3157 0.6360 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9879 -0.0834 -0.2593 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