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66207-23-6 | N-CBZ-1,2,3,6-TETRAHYDROPYRIDINE
CAS No: 66207-23-6 Catalog No: AG00F9Z2 MDL No:MFCD07366998
Product Description
Catalog Number:
AG00F9Z2
Chemical Name:
N-CBZ-1,2,3,6-TETRAHYDROPYRIDINE
CAS Number:
66207-23-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD07366998
IUPAC Name:
benzyl 3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1-5,7-8H,6,9-11H2
InChI Key:
YWKYQRWNOXUYJK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=CC1)OCc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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