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101469-92-5 | (S)-1-(Tert-Butoxycarbonyl)-3-Hydroxypyrrolidine
CAS No: 101469-92-5 Catalog No: AG0032G9 MDL No:MFCD01317839
Product Description
Catalog Number:
AG0032G9
Chemical Name:
(S)-1-(Tert-Butoxycarbonyl)-3-Hydroxypyrrolidine
CAS Number:
101469-92-5
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD01317839
IUPAC Name:
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
APCBTRDHCDOPNY-ZETCQYMHSA-N
SMILES:
O[C@H]1CCN(C1)C(=O)OC(C)(C)C
EC Number:
600-216-0
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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