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
2.5730 1.6002 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7333 0.1735 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9474 -0.2898 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5783 -0.6969 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 -1.8908 0.6822 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 -0.2508 0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -1.1546 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1008 -0.4686 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 -0.4030 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9307 0.3071 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9231 0.6490 0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 0.1678 1.0497 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9346 1.6791 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3166 2.1738 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5420 1.9608 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1019 -1.3112 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7923 0.3521 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7059 -1.5467 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6882 -1.9773 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4226 -0.8391 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6919 0.5423 -1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7210 1.2232 0.9881 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