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
2.7891 -0.7953 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -0.1057 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2796 1.2867 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1277 0.8590 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2433 -0.4063 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 -1.3658 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1126 -1.0505 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4936 0.2460 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4924 1.1788 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7463 -1.8356 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.2776 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6010 1.6860 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 1.9776 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4162 -2.3668 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8684 -1.8138 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 0.5677 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 2.2155 0.4546 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