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
-2.0853 -1.6027 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -1.9944 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2587 -1.0955 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -1.4002 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.4228 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 0.8827 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8858 1.2095 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 0.2036 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3144 0.6284 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 -0.2900 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1680 2.0561 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1321 2.4020 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 -2.3060 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 -3.0084 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 -2.4065 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6013 -0.6643 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9465 1.6652 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3675 0.0609 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9894 2.6994 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5525 3.3829 -0.5804 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