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
2.7272 0.8559 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6500 0.1369 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3106 -1.2389 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 -0.8685 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2251 0.4069 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8111 1.3182 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1497 0.9902 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4294 -0.2958 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4447 -1.2320 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6833 0.3879 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6435 1.8732 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6394 -2.0388 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6852 -1.4796 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 2.2995 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9229 1.7317 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4607 -0.6162 -0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7112 -2.2306 -0.7264 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