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
-3.2904 0.5222 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4480 -0.2483 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 -1.3793 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1291 0.2189 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 1.2881 0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.5230 -1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9040 -0.1316 -1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8680 0.0042 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 0.3767 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7663 0.3931 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7273 0.0159 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6505 -0.1959 0.7912 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3729 0.4360 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0423 1.6132 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0912 0.2025 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8988 -1.7579 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3359 -1.9702 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8868 0.8402 -2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 -0.8841 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 0.6123 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7886 0.6423 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8338 -0.0754 2.5802 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