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
2.2479 -1.2629 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.9378 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1141 -1.1538 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 -1.7035 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4711 -0.8394 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2797 0.5186 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 1.0912 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0342 0.2134 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 0.8813 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3681 0.1173 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 2.3142 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4551 2.4412 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1574 -1.8361 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9594 -3.0116 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4964 -2.7727 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 -1.3055 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1296 1.1718 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3150 0.6333 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 3.1095 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 3.3316 -0.1521 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