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
-2.3243 1.7151 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5130 0.6862 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6280 -0.7339 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 -0.8314 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0759 0.4995 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2167 1.0222 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 0.2325 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2085 -1.1067 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9699 -1.6550 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 1.5546 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9818 2.7077 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9920 -0.9724 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0972 -1.3715 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 2.0784 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3169 0.6449 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0739 -1.7728 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8010 -2.6974 -0.5202 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