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Home > Other Heterocycles > 16346-63-7
16346-63-7 | Bicyclo[2.2.1]hept-5-en-2-one, (1R,4R)-
CAS No: 16346-63-7 Catalog No: AG001U5C MDL No:MFCD28954424
Product Description
Catalog Number:
AG001U5C
Chemical Name:
Bicyclo[2.2.1]hept-5-en-2-one, (1R,4R)-
CAS Number:
16346-63-7
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
MDL Number:
MFCD28954424
IUPAC Name:
(1R,4R)-bicyclo[2.2.1]hept-5-en-2-one
InChI:
InChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2/t5-,6+/m1/s1
InChI Key:
HUQXEIFQYCVOPD-RITPCOANSA-N
SMILES:
O=C1C[C@H]2C[C@@H]1C=C2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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