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88629-16-7 | 5H-Pyrano[2,3-b]pyridin-5-one, 2,3,4,6,7,8-hexahydro-2,2-dimethyl-
CAS No: 88629-16-7 Catalog No: AG004BRS MDL No:
Product Description
Catalog Number:
AG004BRS
Chemical Name:
5H-Pyrano[2,3-b]pyridin-5-one, 2,3,4,6,7,8-hexahydro-2,2-dimethyl-
CAS Number:
88629-16-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[2,3-b]pyridin-5-one
InChI:
InChI=1S/C10H15NO2/c1-10(2)5-3-7-8(12)4-6-11-9(7)13-10/h11H,3-6H2,1-2H3
InChI Key:
WNHUVQGQTJLRTK-UHFFFAOYSA-N
SMILES:
O=C1CCNC2=C1CCC(O2)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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