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
-2.3594 0.9478 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 1.7790 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0476 1.1658 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 1.8530 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3173 1.1454 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3235 -0.2143 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1182 -0.9256 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0133 -0.1869 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0746 -1.0311 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2926 -0.4214 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5975 -2.3839 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 -2.3197 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3195 1.3660 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2935 2.8436 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1412 2.9075 -0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2462 1.6817 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2303 -0.7739 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1759 -1.0436 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2316 -3.2549 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 -3.1342 0.7015 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