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
1.2921 0.0356 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3800 -0.8485 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 -0.8718 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 -0.5488 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7226 0.7153 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5013 1.3831 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4086 0.4487 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 0.2118 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -1.4286 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3117 -1.7260 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5045 -0.3210 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -1.3425 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 1.2435 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6210 2.4508 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4374 0.5985 0.4814 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