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
-2.5216 -1.1839 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 -0.5291 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3994 0.2771 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0006 0.4569 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 -0.2916 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9758 -0.4808 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1914 0.0733 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 0.8266 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2293 1.0416 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3308 -1.7030 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4979 -1.1988 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5944 -0.2532 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0132 1.2176 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 -1.0866 -2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -0.0993 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2469 1.2923 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 1.6408 1.9953 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