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
-2.5099 1.0438 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5734 0.3178 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5513 -0.7860 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0837 -0.6755 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 0.3568 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 0.9515 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2726 0.4692 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3405 -0.5861 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 -1.1533 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1768 1.8359 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5456 0.8337 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9551 -0.5643 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9171 -1.7735 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9673 1.7748 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1820 0.9347 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 -0.9820 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -1.9976 -1.7021 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