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123808-97-9 | Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-7a-methyl-3-(1-methylethyl)-, (3R,7aS)-
CAS No: 123808-97-9 Catalog No: AG000L3K MDL No:
Product Description
Catalog Number:
AG000L3K
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-7a-methyl-3-(1-methylethyl)-, (3R,7aS)-
CAS Number:
123808-97-9
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h7-8H,4-6H2,1-3H3/t8-,10-/m0/s1
InChI Key:
NUUDVADIQSLTCN-WPRPVWTQSA-N
SMILES:
CC([C@@H]1CO[C@@]2(N1C(=O)CC2)C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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