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
2.6957 1.0250 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6423 0.2451 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3635 -1.1778 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0824 -0.8814 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 0.4275 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.2986 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1634 0.8617 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4534 -0.4615 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4025 -1.3242 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6247 2.0841 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6722 0.5916 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6477 -1.5819 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 -1.8139 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6070 2.3413 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 1.5650 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4898 -0.8333 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6259 -2.3660 0.2861 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