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
-2.7389 1.5050 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8054 0.0820 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9717 -0.4976 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6008 -0.7294 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6680 -1.9703 0.5833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3271 -0.2166 0.1477 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8185 -1.0588 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0667 -0.3069 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3315 -0.8426 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1894 0.2164 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3948 1.3245 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1263 0.9660 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7986 1.9062 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6116 1.7172 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 2.1156 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1103 -1.5438 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8664 0.0952 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -1.9521 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 -1.4371 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6145 -1.8744 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2598 0.1753 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 2.3263 -0.5773 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