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
-2.6723 -0.3741 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6126 -0.1332 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3989 0.2126 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0427 0.2046 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 -0.1165 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9201 -0.2737 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1981 -0.1012 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 0.2265 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3561 0.3838 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5476 -0.6215 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6683 -0.3287 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6571 -0.5566 1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 1.2107 1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.5303 -2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0173 -0.2232 -1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4077 0.3753 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 0.6455 2.3828 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