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
-4.0264 -0.0088 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6228 -0.2302 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3790 -0.9012 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 0.3283 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7741 0.9742 1.5267 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 0.1758 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 0.7321 0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1276 0.3974 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8953 -0.7396 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9961 -0.5914 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8599 0.5967 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7395 1.1399 -0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0246 -0.1713 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2429 1.0723 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7426 -0.6466 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1408 -1.3307 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 -1.0388 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6987 1.8400 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 0.2878 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6979 -1.5562 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8190 -1.3081 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5846 0.9785 -1.7009 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