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
-2.5184 1.0126 -1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5754 0.2865 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 -0.8736 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 -0.7042 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 0.3701 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 0.9995 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2823 0.5497 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 -0.5427 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1858 -1.1528 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5682 0.7741 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 1.8630 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -1.8422 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9880 -0.7104 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 1.8539 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1714 1.0671 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3016 -0.9365 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1937 -2.0141 1.6200 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