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
-2.6380 -0.8800 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6052 -0.2439 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4863 0.9714 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0245 0.7237 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1596 -0.3999 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9892 -1.0850 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2457 -0.6516 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3908 0.4643 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2476 1.1293 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6600 -0.5765 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4493 -1.7536 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 0.7374 -1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8498 1.9013 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8998 -1.9653 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 -1.1766 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3879 0.8019 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3891 2.0029 -1.4870 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