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
Resources
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
-0.4507 2.9865 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1928 2.2785 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0443 0.8609 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1441 0.2044 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 0.9280 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5165 0.2662 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5738 -1.1018 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3974 -1.8081 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 -1.1858 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0039 -1.9127 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1994 -1.2724 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2197 0.0969 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4375 0.7207 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6413 0.0365 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6021 -1.3272 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4050 -1.9790 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1835 2.6114 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 4.0533 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9100 2.8412 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2790 1.9917 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4405 0.8539 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5234 -1.6236 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3826 -2.8873 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0116 -2.9794 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5050 1.7964 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5994 0.5132 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5194 -1.9172 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3446 -3.0453 -0.2757 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