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
-2.4178 -0.6514 -1.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5680 -0.1756 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5942 0.5649 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1267 0.4537 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 -0.2368 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1193 -0.6509 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 -0.3703 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 0.3324 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0886 0.7320 1.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4732 -0.4910 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0781 -1.1907 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 1.6461 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1053 0.0842 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 -1.2018 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2303 -0.7095 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 0.5678 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 1.2969 2.3442 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