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
-3.1516 0.6876 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2730 -0.4416 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6328 -1.2705 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0102 -0.6430 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2235 -1.5900 0.1829 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6050 0.2205 -1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6224 0.0419 -1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7585 0.1091 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4640 1.2321 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.7931 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2745 -0.5771 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2805 -0.9078 -0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6295 1.6277 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 0.7978 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1112 0.6695 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5713 -1.1208 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 -2.1061 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6393 -0.8904 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 0.9412 -2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 2.2231 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1488 1.4123 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8994 -1.2086 1.1759 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