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
2.6289 1.1751 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5778 0.3462 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3922 -1.0831 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0345 -0.8481 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1666 0.4743 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 1.2928 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2159 0.7682 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -0.5980 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3137 -1.4463 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5586 2.2258 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5870 0.7289 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5896 -1.5285 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9028 -1.6898 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 2.3450 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0384 1.4120 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3562 -1.0512 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 -2.5235 0.0723 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