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20971-79-3 | 2(3H)-Furanone, dihydro-5-(3-pyridinyl)-
CAS No: 20971-79-3 Catalog No: AG002KDO MDL No:
Product Description
Catalog Number:
AG002KDO
Chemical Name:
2(3H)-Furanone, dihydro-5-(3-pyridinyl)-
CAS Number:
20971-79-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5-pyridin-3-yloxolan-2-one
InChI:
InChI=1S/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2
InChI Key:
TUQJJRAPYHGKLP-UHFFFAOYSA-N
SMILES:
O=C1CCC(O1)c1cccnc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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