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
2.5400 -0.4773 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 -1.4675 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2560 -1.1243 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -2.0646 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0749 -1.5907 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.2255 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3377 0.6859 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 0.1844 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8699 1.1824 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2384 0.8641 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1204 2.4337 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1876 2.1410 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6068 -0.7191 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8466 -2.5027 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5130 -3.0974 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8918 -2.3043 0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3748 0.1603 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9302 1.6802 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 3.4075 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9848 2.8341 0.1632 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