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
-1.9959 -1.6939 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6611 -2.0925 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 -1.1402 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6918 -1.3671 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6052 -0.3074 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1882 1.0134 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8132 1.2391 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 0.1761 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3652 0.5932 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 -0.3749 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3149 2.0471 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0178 2.4399 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7513 -2.4459 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3408 -3.1222 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0183 -2.3881 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6642 -0.5001 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8620 1.8504 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4021 -0.0511 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1855 2.6708 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 3.4537 0.0442 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