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1260589-26-1 | 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester, (6S)-
CAS No: 1260589-26-1 Catalog No: AG000QUT MDL No:MFCD11976153
Product Description
Catalog Number:
AG000QUT
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester, (6S)-
CAS Number:
1260589-26-1
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD11976153
IUPAC Name:
tert-butyl (6S)-6-hydroxy-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChI Key:
HFIKYUQRVQDAKC-QMMMGPOBSA-N
SMILES:
O[C@@H]1COCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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