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
-2.8297 0.7057 1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3334 0.6170 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 1.2537 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1351 -0.1327 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7051 -0.2178 -1.2504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4424 -0.7770 0.9227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 -1.5332 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8582 -0.7655 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2136 -0.7449 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3273 0.0924 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 0.5335 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7087 0.0104 0.8742 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4060 1.6269 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4943 -0.1970 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9877 0.6102 2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9263 1.8161 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6791 1.1918 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 -1.8361 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5643 -2.4850 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7370 -1.2667 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8153 0.2871 -2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4075 1.2110 0.3552 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