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
2.6618 -0.1907 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6156 -0.1256 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 -0.1479 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 -0.0155 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1983 0.0032 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 0.1251 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1909 0.2220 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4043 0.1980 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 0.0816 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 -0.1535 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6395 -0.2888 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7990 0.6794 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6034 -1.1689 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6364 0.1347 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0015 0.3137 1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4154 0.2732 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5137 0.0601 -2.4649 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