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774609-73-3 | tert-Butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
CAS No: 774609-73-3 Catalog No: AG0053DP MDL No:MFCD11111486
Product Description
Catalog Number:
AG0053DP
Chemical Name:
tert-Butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
CAS Number:
774609-73-3
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD11111486
IUPAC Name:
tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(15)14-8-5-12(16,4-7-13)6-9-14/h16H,4-6,8-9H2,1-3H3
InChI Key:
WQWMUDUIUQIEII-UHFFFAOYSA-N
SMILES:
N#CCC1(O)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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