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64018-30-0 | (3aR,3aα,7aα)-Octahydro-1,2-benzisoxazole
CAS No: 64018-30-0 Catalog No: AG00EOZV MDL No:
Product Description
Catalog Number:
AG00EOZV
Chemical Name:
(3aR,3aα,7aα)-Octahydro-1,2-benzisoxazole
CAS Number:
64018-30-0
IUPAC Name:
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,2-benzoxazole
InChI:
InChI=1S/C7H13NO/c1-2-4-7-6(3-1)5-8-9-7/h6-8H,1-5H2/t6-,7-/m1/s1
InChI Key:
ZDJSDPUZTBEIAP-RNFRBKRXSA-N
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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