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14693-11-9 | Tricyclo[3.3.1.02,8]nona-3,6-diene
CAS No: 14693-11-9 Catalog No: AG001EGC MDL No:
Product Description
Catalog Number:
AG001EGC
Chemical Name:
Tricyclo[3.3.1.02,8]nona-3,6-diene
CAS Number:
14693-11-9
Molecular Formula:
C9H10
Molecular Weight:
118.1757
IUPAC Name:
tricyclo[3.3.1.02,8]nona-3,6-diene
InChI:
InChI=1S/C9H10/c1-3-7-8-4-2-6(1)5-9(7)8/h1-4,6-9H,5H2
InChI Key:
RHNDWILNXCGXLR-UHFFFAOYSA-N
SMILES:
C1=CC2C3CC1C=CC23
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.078g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.179g/mol
Monoisotopic Mass:
118.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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