Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-1.6875 -1.9819 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0897 -0.6414 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1060 0.3207 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4336 1.6683 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 2.5794 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 2.1645 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2456 0.8017 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 -0.0758 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6654 -1.3667 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 -2.3310 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1220 -1.3286 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4506 -0.0208 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4472 -2.7744 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1390 -0.3544 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 2.0345 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5599 3.6459 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7801 2.8350 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 -3.3618 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 -2.1873 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4444 0.3740 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers