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
-1.7808 -1.9180 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4147 -2.1489 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 -1.0813 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -1.1683 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6155 -0.0093 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0779 1.2568 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6800 1.3293 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0762 0.1765 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 0.4460 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3113 -0.6303 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 1.8966 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 2.4104 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -2.7275 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0003 -3.1397 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2566 -2.1525 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6834 -0.1445 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6358 2.1554 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3572 -0.4227 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 2.4191 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0611 3.4529 0.1978 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