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
2.6289 1.2041 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6385 0.3192 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4382 -1.1196 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -0.9353 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1900 0.4185 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9244 1.2585 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2103 0.7622 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 -0.5956 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 -1.4309 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 2.2559 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6485 0.8974 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8457 -1.7572 -0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 -1.5553 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 2.3183 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0474 1.4305 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3972 -0.9845 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4958 -2.4863 0.2816 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