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
-2.6749 -0.7041 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6064 -0.2824 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3437 0.2815 1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 0.3410 0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1991 -0.1782 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8587 -0.3765 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1676 -0.0611 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4054 0.4687 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 0.6724 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6429 -0.6764 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5138 -1.0758 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 1.2757 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -0.4663 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5674 -0.7984 -2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9107 -0.2416 -1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4269 0.7279 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5835 1.0934 2.1479 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