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
-2.6856 -0.9606 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6210 -0.1537 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 1.2765 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0758 0.8958 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 -0.4392 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8335 -1.3789 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -0.9682 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4291 0.3764 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 1.3028 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6083 -2.0332 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6714 -0.5348 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 1.7705 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 1.8501 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -2.4047 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9307 -1.7242 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4374 0.7579 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6096 2.3676 0.0023 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