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
-2.5777 -1.2910 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5879 -0.4167 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 1.0455 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0400 0.8679 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1342 -0.4943 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 -1.2380 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 -0.6321 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3570 0.7453 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1929 1.4836 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5977 -1.0105 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 -2.3644 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 1.5005 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8656 1.5378 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9320 -2.3102 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1968 -1.2190 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3426 1.2364 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 2.5592 -0.0125 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