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
-0.2008 3.1165 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5676 2.1984 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1966 0.8113 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1212 0.4192 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 1.3060 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4811 0.8668 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7245 -0.4829 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6847 -1.3728 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.9566 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -1.8586 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9700 -1.4676 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2407 -0.1209 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 0.2831 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6014 -0.6250 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3301 -1.9766 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 -2.3725 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5759 4.1329 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4512 2.9658 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 2.5053 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 2.3646 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3189 1.5815 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7537 -0.8352 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 -2.4608 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5572 -2.9082 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 1.3115 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6336 -0.3139 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1244 -2.6944 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7491 -3.4168 -0.2391 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