Home Carboxys 4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

CAS No.:
186347-72-8
Catalog Number:
AG00AMIZ
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
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Product Description
Catalog Number:
AG00AMIZ
Chemical Name:
4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CAS Number:
186347-72-8
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD11977149
IUPAC Name:
tert-butyl 4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3
InChI Key:
OESDBFQMFCAJFP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties