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86815-65-8 | 1,3-Dioxepan-5-ol, 6-amino-2,2-dimethyl-, cis-
CAS No: 86815-65-8 Catalog No: AG004MI1 MDL No:
Product Description
Catalog Number:
AG004MI1
Chemical Name:
1,3-Dioxepan-5-ol, 6-amino-2,2-dimethyl-, cis-
CAS Number:
86815-65-8
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
(5S,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol
InChI:
InChI=1S/C7H15NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6+/m0/s1
InChI Key:
BXRMFUZPBYHYSM-NTSWFWBYSA-N
SMILES:
N[C@H]1COC(OC[C@H]1O)(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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