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252-78-8 | 5,8-Methano-5H-benzocycloheptene
CAS No: 252-78-8 Catalog No: AG002QVV MDL No:
Product Description
Catalog Number:
AG002QVV
Chemical Name:
5,8-Methano-5H-benzocycloheptene
CAS Number:
252-78-8
Molecular Formula:
C12H10
Molecular Weight:
154.2078
IUPAC Name:
tricyclo[7.2.1.02,7]dodeca-2,4,6,8,10-pentaene
InChI:
InChI=1S/C12H10/c1-2-4-12-10(3-1)7-9-5-6-11(12)8-9/h1-7,11H,8H2
InChI Key:
FCDPQOCIKDZCMD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1C=CC(=C2)C1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.212g/mol
Monoisotopic Mass:
154.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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