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113631-18-8 | 3H-Oxazolo[3,4-a]pyridine, hexahydro-1-(1-naphthalenyl)-, cis- (9CI)
CAS No: 113631-18-8 Catalog No: AG00096P MDL No:
Product Description
Catalog Number:
AG00096P
Chemical Name:
3H-Oxazolo[3,4-a]pyridine, hexahydro-1-(1-naphthalenyl)-, cis- (9CI)
CAS Number:
113631-18-8
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
1-naphthalen-1-yl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
InChI:
InChI=1S/C17H19NO/c1-2-8-14-13(6-1)7-5-9-15(14)17-16-10-3-4-11-18(16)12-19-17/h1-2,5-9,16-17H,3-4,10-12H2
InChI Key:
SEWKHIRDCGCRHR-UHFFFAOYSA-N
SMILES:
C1CCN2[C@@H](C1)[C@@H](OC2)c1cccc2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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