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
-2.1389 -1.5529 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -2.0280 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2184 -1.1377 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5413 -1.5206 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5460 -0.5427 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2661 0.8027 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9335 1.1967 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0218 0.2155 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 0.7222 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3646 -0.1692 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1118 2.1756 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2045 2.4578 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0024 -2.2055 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 -3.0847 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7543 -2.5714 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5791 -0.8577 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0380 1.5477 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3451 0.2410 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 2.8818 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 3.4292 0.0175 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