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
-2.7429 0.8736 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6655 0.1369 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3098 -1.2654 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 -0.8667 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2383 0.4213 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7806 1.3339 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1159 0.9860 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 -0.3086 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4588 -1.2465 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7040 0.4182 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6603 1.9069 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4925 -1.5672 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 -2.0281 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 2.3532 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8496 1.7463 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4736 -0.6202 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7142 -2.2737 0.5032 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