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
2.7681 -0.7956 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6536 -0.1154 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2787 1.2628 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1385 0.8578 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 -0.4034 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 -1.3577 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1007 -1.0211 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4937 0.2540 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4978 1.1863 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7058 -0.2906 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7673 -1.8354 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5740 2.0207 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 1.5523 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 -2.3485 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 -1.7694 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5201 0.5814 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 2.2218 0.5641 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