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
2.6157 -0.4253 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -1.4194 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2986 -1.1139 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 -2.0349 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0667 -1.5827 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4028 -0.2542 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 0.6421 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 0.1910 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 1.2084 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2114 0.8750 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0611 2.4139 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 2.0905 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6637 -0.6763 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9125 -2.4344 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4875 -3.0559 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8455 -2.3284 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4214 0.0657 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9410 1.6568 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4880 3.3895 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0453 2.7924 0.4191 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