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231613-56-2 | Pyrrolo[2,1-b]oxazole, hexahydro-7a-methyl-3-(1-methylethyl)-, (3S,7aR)- (9CI)
CAS No: 231613-56-2 Catalog No: AG00CGI4 MDL No:
Product Description
Catalog Number:
AG00CGI4
Chemical Name:
Pyrrolo[2,1-b]oxazole, hexahydro-7a-methyl-3-(1-methylethyl)-, (3S,7aR)- (9CI)
CAS Number:
231613-56-2
IUPAC Name:
(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
InChI:
InChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3/t9-,10-/m1/s1
InChI Key:
JZQYXDMVPAMQMV-NXEZZACHSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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