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1022915-31-6 | 1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)-
CAS No: 1022915-31-6 Catalog No: AG000741 MDL No:MFCD11976150
Product Description
Catalog Number:
AG000741
Chemical Name:
1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)-
CAS Number:
1022915-31-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD11976150
IUPAC Name:
(6R)-4-benzyl-1,4-oxazepan-6-ol
InChI:
InChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChI Key:
SQZLCDHCXXQFNQ-GFCCVEGCSA-N
SMILES:
O[C@H]1COCCN(C1)Cc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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