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
2.4033 -0.9787 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2506 -1.7747 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0073 -1.1702 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1884 -1.8878 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 -1.1488 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3372 0.2494 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1385 0.9467 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0007 0.1906 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0896 1.0192 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3272 0.4101 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6312 2.4139 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 2.3397 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3442 -1.4941 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2929 -2.8481 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1668 -2.9515 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3111 -1.6281 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2447 0.8298 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2076 0.9976 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2410 3.3003 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3533 3.1847 0.1841 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