Monomers
2,5-Norbornadiene
Identifiers
IUPAC name
bicyclo[2.2.1]hepta-2,5-diene
InchI
InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InchI Key
SJYNFBVQFBRSIB-UHFFFAOYSA-N
SMILES
C1=CC2CC1C=C2
Canonical SMILES
C1C2C=CC1C=C2
Isomeric SMILES
C1C2C=CC1C=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8
Heavy Atom Count
7
Molecular Weight
92.141
Exact Molecular Weight
92.0626
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
0.2317 1.4461 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2985 0.6584 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8463 -0.6872 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2782 -0.1912 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9358 0.6053 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 -0.5168 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0356 -1.2728 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2158 2.4845 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2970 0.9886 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5853 -1.2740 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9091 -0.9968 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0722 0.5320 -1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 1.1004 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8371 -0.7305 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -2.1460 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
5 1 1 0
7 3 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers