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
-1.9743 -1.7040 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 -2.1027 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3203 -1.1181 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6620 -1.4195 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5776 -0.3563 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1532 0.9681 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 1.2616 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3442 0.6349 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3283 -0.3474 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2921 2.0945 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0051 2.4913 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7543 -2.4433 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4031 -3.1557 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9733 -2.4530 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 -0.5712 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8279 1.8066 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3459 -0.0123 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1747 2.7332 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3501 3.5040 -0.0070 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