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
-2.7512 0.9195 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6479 0.1902 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3574 -1.2614 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0751 -0.8839 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2187 0.4785 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8520 1.3531 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1643 0.9412 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4433 -0.3952 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3935 -1.2942 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7184 0.4359 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7213 1.9979 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -1.7675 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 -1.7748 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6906 2.4292 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 1.6628 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4831 -0.6913 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6658 -2.3400 0.4417 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