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91276-98-1 | Oxazolo[3,2-a]azepine, 2,3,5,6,7,8-hexahydro-
CAS No: 91276-98-1 Catalog No: AG006CO4 MDL No:
Product Description
Catalog Number:
AG006CO4
Chemical Name:
Oxazolo[3,2-a]azepine, 2,3,5,6,7,8-hexahydro-
CAS Number:
91276-98-1
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]azepine
InChI:
InChI=1S/C8H13NO/c1-2-4-8-9(5-3-1)6-7-10-8/h4H,1-3,5-7H2
InChI Key:
FIWVGGFGRGLTLB-UHFFFAOYSA-N
SMILES:
C1CCN2C(=CC1)OCC2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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