Monomers
9-Vinylanthracene
Identifiers
IUPAC name
9-ethenylanthracene
InchI
InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
InchI Key
OGOYZCQQQFAGRI-UHFFFAOYSA-N
SMILES
C=Cc1c2ccccc2cc2c1cccc2
Canonical SMILES
C=CC1=C2C=CC=CC2=CC3=CC=CC=C31
Isomeric SMILES
C=CC1=C2C=CC=CC2=CC3=CC=CC=C31
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H12
Heavy Atom Count
16
Molecular Weight
204.272
Exact Molecular Weight
204.0939
Valence Electrons
76
Radical Electrons
0
tPSA
0.0
MolLogP
4.636
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
3
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
28 30 0 0 0 0 0 0 0 0999 V2000
-0.9358 3.0445 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2006 2.2178 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0673 0.7893 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1854 0.0068 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4748 0.4658 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5747 -0.3556 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3519 -1.6892 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 -2.1648 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 -1.3455 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3160 -1.8553 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4190 -1.0381 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2237 0.3049 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3423 1.0836 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 0.6091 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8149 -0.7275 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 -1.5465 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5148 2.6657 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 4.0971 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3780 2.6440 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6593 1.4837 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5774 0.0550 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2271 -2.3380 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8910 -3.2187 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4245 -2.9134 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 2.1411 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 1.2674 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8213 -1.0870 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 -2.5963 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
12 3 1 0
9 4 1 0
16 11 1 0
1 17 1 0
1 18 1 0
2 19 1 0
5 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
10 24 1 0
13 25 1 0
14 26 1 0
15 27 1 0
16 28 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers