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
-1.9614 1.7277 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6311 2.0918 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3428 1.1158 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 1.3826 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 0.3036 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 -1.0046 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 -1.2589 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0584 -0.1940 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3545 -0.6058 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3233 0.3796 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3286 -2.0662 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 -2.4638 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7607 2.4774 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 3.1190 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0355 2.4042 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6316 0.5343 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8189 -1.8516 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3607 0.0634 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1963 -2.6837 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2989 -3.4708 0.1044 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