Monomers
1,2-Dihydro-1-methylenebenzocyclobutene
Identifiers
IUPAC name
7-methylidenebicyclo[4.2.0]octa-1,3,5-triene
InchI
InChI=1S/C9H8/c1-7-6-8-4-2-3-5-9(7)8/h2-5H,1,6H2
InchI Key
SYNMYUUTAJUSDF-UHFFFAOYSA-N
SMILES
C=C1Cc2c1cccc2
Canonical SMILES
C=C1CC2=CC=CC=C12
Isomeric SMILES
C=C1CC2=CC=CC=C12
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8
Heavy Atom Count
9
Molecular Weight
116.163
Exact Molecular Weight
116.0626
Valence Electrons
44
Radical Electrons
0
tPSA
0.0
MolLogP
2.2559
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
-2.7487 -0.7739 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6437 -0.0835 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2698 1.2777 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1245 0.8470 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2412 -0.4276 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 -1.3839 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1000 -1.0387 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4593 0.2503 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4767 1.2111 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 -1.8170 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7304 -0.3351 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6005 1.5817 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 2.0607 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4446 -2.3834 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8491 -1.7836 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4942 0.5621 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 2.2363 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
5 2 1 0
9 4 1 0
1 10 1 0
1 11 1 0
3 12 1 0
3 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers