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
2.0852 -1.6063 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7878 -2.0694 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2546 -1.1391 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 -1.4875 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 -0.4785 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2108 0.8628 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.2288 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0404 0.1989 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3079 0.7004 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 -0.2470 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1671 2.1422 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1319 2.4970 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 -2.3056 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 -3.1103 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8344 -2.5279 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 -0.7625 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9234 1.6718 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3350 0.1299 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0097 2.8166 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5543 3.4856 -0.1021 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