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
-2.5119 -0.7637 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1033 0.5780 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 0.8897 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 2.1775 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1433 2.3519 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0170 1.2903 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 -0.0057 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1424 -0.1612 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2463 -1.4723 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5971 -1.7862 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0099 -2.2244 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0428 -1.3593 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5817 -0.9953 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8036 1.3801 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9252 2.9899 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5291 3.3631 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 1.4207 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9095 -2.8073 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1128 -3.2778 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 -1.5881 0.1086 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