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
-1.7334 -1.9670 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0859 -0.6151 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 0.3509 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3288 1.7115 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2488 2.6050 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0539 2.1719 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2792 0.7940 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 -0.0550 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5614 -1.3751 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 -2.3653 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 -1.3524 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 -0.0752 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5501 -2.6813 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1122 -0.3140 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3339 2.0393 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 3.6681 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 2.8332 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 -3.3988 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6106 -2.2371 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4570 0.2627 0.2074 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