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
-2.5936 0.1016 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8783 -1.1004 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4948 -1.0532 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2953 -2.2113 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 -2.0108 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2381 -0.7434 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4346 0.4031 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0931 0.1867 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5706 1.3884 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9477 1.3265 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4430 2.4557 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6225 1.8300 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6874 0.0487 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3419 -2.0561 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -3.1749 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2992 -2.8812 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3074 -0.5941 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5116 2.2475 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2197 3.5129 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5909 2.3242 0.1480 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