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
2.7233 1.4239 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -0.0610 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8930 -0.6789 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5253 -0.8588 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 -2.1139 0.2183 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 -0.3177 0.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8547 -1.1548 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1419 -0.4120 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 0.9336 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 1.0928 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2904 -0.1677 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3027 -1.0077 0.1125 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9242 1.8050 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5373 1.8302 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 1.8014 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8261 -0.1121 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9043 -1.7553 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 -1.8538 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8142 -1.7796 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.6863 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2738 2.0337 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3651 -0.3338 0.0598 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