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Home > Other Heterocycles > 401815-31-4
401815-31-4 | 2H-Pyran-2-one, 4-bicyclo[2.2.1]hept-2-yltetrahydro-
CAS No: 401815-31-4 Catalog No: AG00750E MDL No:
Product Description
Catalog Number:
AG00750E
Chemical Name:
2H-Pyran-2-one, 4-bicyclo[2.2.1]hept-2-yltetrahydro-
CAS Number:
401815-31-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
4-(2-bicyclo[2.2.1]heptanyl)oxan-2-one
InChI:
InChI=1S/C12H18O2/c13-12-7-10(3-4-14-12)11-6-8-1-2-9(11)5-8/h8-11H,1-7H2
InChI Key:
IJGGSCSTRYJBKY-UHFFFAOYSA-N
SMILES:
O=C1OCCC(C1)C1CC2CC1CC2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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