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
1.6245 -2.0028 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0665 -0.6879 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 0.2981 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4658 1.6387 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4351 2.5602 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8809 2.1469 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 0.8017 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2086 -0.0630 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6936 -1.3396 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2743 -2.3319 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1431 -1.2673 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 0.0297 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3597 -2.7846 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 -0.3920 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 1.9441 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 3.6025 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 2.8642 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0900 -3.3420 0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7867 -2.1113 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4414 0.4366 -0.2135 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