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
-2.7254 -0.5980 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6329 -0.0426 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 1.0972 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 0.6928 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2326 -0.3683 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8147 -1.1854 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1223 -0.9245 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4445 0.1542 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4519 0.9809 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6710 -0.1389 0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 -1.4833 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 2.1052 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6887 1.0637 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4924 -2.0223 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 -1.5688 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4873 0.3944 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 1.8440 -1.4376 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