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
-2.6544 1.0958 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6254 0.2360 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 -1.1618 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0340 -0.8647 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1992 0.4339 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8987 1.3017 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1844 0.8240 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 -0.5005 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3630 -1.3293 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 0.6610 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5234 2.1307 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7477 -1.4617 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7316 -1.8973 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6541 2.3226 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0074 1.5046 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4536 -0.8973 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4893 -2.3977 -0.4506 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