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
-2.7178 0.8742 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.1794 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 -1.0260 0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0860 -0.7463 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2162 0.3672 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8466 1.1142 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 0.7528 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4367 -0.3973 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 -1.1506 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 1.7678 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6890 0.5032 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -1.9780 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 -0.8969 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5475 1.9968 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9381 1.3706 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4878 -0.6820 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6142 -2.0490 1.2081 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