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
-3.0941 -0.2263 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3343 0.3160 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 1.2244 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9957 -0.1541 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 0.2690 1.5369 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4473 -1.1070 -0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 -1.6547 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9040 -0.6362 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8424 0.6966 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1305 1.1682 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9410 0.0838 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1857 -0.9516 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1308 -0.4372 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6767 -1.1921 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0831 0.4580 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4023 1.6653 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9047 1.5837 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9672 -2.2320 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9555 -2.3839 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9755 1.2734 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5152 2.1698 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0222 0.0670 -0.0478 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