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
-2.1973 1.3850 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1617 -0.0118 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9465 -0.6619 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 -2.0512 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4613 -2.5816 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5819 -1.7619 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 -0.3769 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 0.1364 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1604 1.5076 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 2.1666 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5697 1.8932 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3253 0.7787 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1768 1.8357 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0643 -0.6009 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -2.6479 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5538 -3.6616 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5657 -2.1651 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 3.2366 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 2.8762 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4034 0.7047 -0.1315 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