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
2.5252 -1.4428 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 -0.4880 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5437 0.9735 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0749 0.8850 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1543 -0.4668 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0605 -1.1699 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 -0.5349 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3616 0.8349 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1689 1.5129 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2472 -2.4657 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 -1.1566 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9525 1.3828 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8940 1.5291 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 -2.2387 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2040 -1.0940 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3158 1.3542 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 2.5849 0.1753 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