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
2.5421 -1.3103 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5790 -0.4296 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 0.9603 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0681 0.8340 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -0.4525 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0663 -1.1511 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 -0.5682 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 0.7474 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1958 1.4406 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3104 -2.3219 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 -1.0613 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 1.7190 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9624 1.1519 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9379 -2.1789 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1976 -1.1148 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3233 1.2594 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1963 2.4761 -0.7600 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