Home Carboxys tert-butyl 1aH,6H,7H,7aH-oxireno[2,3-c]quinoline-6-carboxylate

tert-butyl 1aH,6H,7H,7aH-oxireno[2,3-c]quinoline-6-carboxylate

CAS No.:
152400-17-4
Catalog Number:
AG01AL1N
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG01AL1N
Chemical Name:
tert-butyl 1aH,6H,7H,7aH-oxireno[2,3-c]quinoline-6-carboxylate
CAS Number:
152400-17-4
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD24543654
IUPAC Name:
tert-butyl 2,7b-dihydro-1aH-oxireno[2,3-c]quinoline-3-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-11-12(17-11)9-6-4-5-7-10(9)15/h4-7,11-12H,8H2,1-3H3
InChI Key:
PPKCCKKBUDKBFQ-UHFFFAOYSA-N
SMILES:
O=C(N1CC2OC2c2c1cccc2)OC(C)(C)C
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties