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1174020-38-2 | 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, 1,1-dimethylethyl ester, (4S)-
CAS No: 1174020-38-2 Catalog No: AG000E8J MDL No:MFCD18432593
Product Description
Catalog Number:
AG000E8J
Chemical Name:
1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
1174020-38-2
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
MDL Number:
MFCD18432593
IUPAC Name:
tert-butyl (4S)-4-hydroxyazepane-1-carboxylate
InChI:
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChI Key:
CRFSWDBNKHNGGA-VIFPVBQESA-N
SMILES:
O[C@H]1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.293g/mol
Monoisotopic Mass:
215.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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