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
-2.5513 1.2995 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5894 0.3869 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 -0.9999 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0516 -0.8552 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1487 0.4320 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9987 1.1508 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2537 0.5973 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3474 -0.7074 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2402 -1.4208 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5539 0.9742 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 2.2878 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 -1.7669 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8200 -1.0822 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8330 2.1644 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 1.1502 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3265 -1.1608 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3188 -2.4499 0.6715 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