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
-2.3679 0.4919 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 0.0071 0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5214 -0.8964 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0988 -0.5613 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1309 0.2767 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 0.9578 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2140 0.7489 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2404 -0.1142 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -0.7638 -1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3797 0.1159 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0577 1.2030 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1300 -0.6256 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6778 -1.9579 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9877 1.6135 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.2647 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1413 -0.2948 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0428 -1.4657 -2.2271 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