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116910-11-3 | Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)-, (3S,7aR)-
CAS No: 116910-11-3 Catalog No: AG000DDT MDL No:MFCD06496252
Product Description
Catalog Number:
AG000DDT
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)-, (3S,7aR)-
CAS Number:
116910-11-3
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD06496252
IUPAC Name:
(3S,7aR)-7a-methyl-3-propan-2-yl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C10H15NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h4-5,7-8H,6H2,1-3H3/t8-,10-/m1/s1
InChI Key:
JOXQDNAGAGXGOK-PSASIEDQSA-N
SMILES:
CC([C@H]1CO[C@]2(N1C(=O)C=C2)C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/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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