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
-2.5891 1.2918 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5965 0.3879 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4872 -1.0532 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -0.8746 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1555 0.4457 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0142 1.2253 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2594 0.6606 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 -0.6945 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2544 -1.4646 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6152 0.9623 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4114 2.3450 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 -1.3882 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9115 -1.6678 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8408 2.2906 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1234 1.2730 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3604 -1.1895 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3213 -2.5496 -0.2313 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