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
-3.2761 -0.4909 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 0.0711 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9880 0.9448 1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -0.3434 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5423 -1.1931 -0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 0.1366 1.3646 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -0.2924 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8820 0.0220 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 -0.2999 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6330 0.1267 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 0.6914 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5019 0.6108 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7878 -1.4105 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0282 0.2752 -1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6596 -0.7532 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 1.3488 1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0319 1.2763 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1876 -1.3760 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5814 0.2374 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8433 -0.7943 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6001 0.0635 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 1.1491 -2.6706 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