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1000931-04-3 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-phenyl-, 1,1-dimethylethyl ester
CAS No: 1000931-04-3 Catalog No: AG0000VP MDL No:MFCD08461249
Product Description
Catalog Number:
AG0000VP
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1000931-04-3
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
MDL Number:
MFCD08461249
IUPAC Name:
tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-9-13(14(18)11-17)12-7-5-4-6-8-12/h4-8,13-14,18H,9-11H2,1-3H3
InChI Key:
HWNKSGVMOCONJS-UHFFFAOYSA-N
SMILES:
OC1CN(CCC1c1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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