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Home > Other Heterocycles > 16620-79-4
16620-79-4 | rac-(1R,4R)-bicyclo[2.2.1]hept-5-en-2-one, trans
CAS No: 16620-79-4 Catalog No: AG01C310 MDL No:MFCD17019375
Product Description
Catalog Number:
AG01C310
Chemical Name:
rac-(1R,4R)-bicyclo[2.2.1]hept-5-en-2-one, trans
CAS Number:
16620-79-4
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
MDL Number:
MFCD17019375
IUPAC Name:
(1S,4S)-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+/m0/s1
InChI Key:
HUQXEIFQYCVOPD-NTSWFWBYSA-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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