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
2.8356 -0.4843 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6515 0.1152 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1348 1.4251 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 0.8362 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 -0.3824 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 -1.4420 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -1.2582 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5008 -0.0291 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6075 0.9988 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8955 -1.5206 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7373 0.0965 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3592 1.8238 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3519 2.1532 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1658 -2.3935 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6459 -2.0817 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5785 0.1352 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 2.0078 0.5770 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