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
2.6639 1.0656 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 0.2645 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3934 -1.1752 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 -0.8938 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 0.4411 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 1.3127 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 0.8575 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4217 -0.4923 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3638 -1.3457 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6569 0.6516 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 2.1118 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6058 -1.7413 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8205 -1.6617 0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6515 2.3638 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9940 1.5624 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4422 -0.9035 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4889 -2.4175 0.1632 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