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
-1.8377 0.9979 -2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2285 0.2702 -1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 -1.0449 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1921 -0.8255 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 0.3989 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 1.1696 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9553 0.7544 1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8042 -0.4723 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7277 -1.2364 1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 1.9731 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7278 0.6088 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 -1.1544 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2206 -1.9148 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1397 2.1268 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7728 1.4101 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4869 -0.8452 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5765 -2.2164 1.7610 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