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
-0.9306 2.4430 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7405 1.3234 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 0.0806 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8709 -1.1143 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1665 -2.3183 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 -2.3778 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 -1.1776 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1903 -0.0067 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0298 1.0823 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 2.3307 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3733 0.5282 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3024 -0.8059 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3599 3.4428 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 1.3786 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9290 -1.0817 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7224 -3.2602 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7241 -3.3142 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 3.1720 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2654 1.1335 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 -1.4586 0.3459 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