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
2.7130 -0.3631 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6088 0.1232 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1724 1.3880 -0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1780 0.8122 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2523 -0.3513 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6686 -1.3909 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9745 -1.2850 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3933 -0.1123 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4797 0.9119 -0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5858 0.2572 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7106 -1.3599 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2254 2.2915 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 1.5724 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3388 -2.3173 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6837 -2.0962 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3953 0.0627 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7806 1.8570 -1.2482 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