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
2.6361 1.1443 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6182 0.2937 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 -1.1454 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0093 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 0.4401 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9452 1.2771 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2273 0.7897 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4174 -0.5733 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -1.3938 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6425 0.7513 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5140 2.2120 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7282 -1.6901 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8250 -1.6237 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 2.3366 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0445 1.4976 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4415 -0.9558 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 -2.4684 -0.0899 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