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
-3.2893 0.2258 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 0.5056 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8267 1.3352 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -0.1102 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3640 0.1365 -1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 -0.9990 0.4214 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 -1.6013 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7724 -0.5990 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0993 -0.9529 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8342 0.2175 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9090 1.2359 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7160 0.6967 0.3049 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3166 -0.0072 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9619 -0.6967 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2777 1.0592 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8068 1.8177 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 1.5814 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8105 -2.2485 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7803 -2.2384 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5104 -1.9615 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9135 0.2986 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1485 2.3045 0.2521 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