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
-2.4921 -0.9302 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5381 -0.2543 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4780 0.9931 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 0.7405 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 -0.4187 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 -1.1695 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2596 -0.7310 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 0.4608 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1560 1.2310 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4879 -0.5623 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -1.8476 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0727 0.9474 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7157 1.9247 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 -2.0869 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 -1.3191 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2072 0.8585 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1837 2.1637 -1.5077 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