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1214741-20-4 | 3-(1,1-diMethylethyl)-7a-ethenyldihydro-, (3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-1,5(6H)-dione
CAS No: 1214741-20-4 Catalog No: AG009XHH MDL No:MFCD20040514
Product Description
Catalog Number:
AG009XHH
Chemical Name:
3-(1,1-diMethylethyl)-7a-ethenyldihydro-, (3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-1,5(6H)-dione
CAS Number:
1214741-20-4
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD20040514
IUPAC Name:
(3R,7aR)-3-tert-butyl-7a-ethenyl-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-1,5-dione
InChI:
InChI=1S/C12H17NO3/c1-5-12-7-6-8(14)13(12)9(11(2,3)4)16-10(12)15/h5,9H,1,6-7H2,2-4H3/t9-,12+/m1/s1
InChI Key:
BTUAJNQTKSSATQ-SKDRFNHKSA-N
SMILES:
C=C[C@]12CCC(=O)N2[C@H](OC1=O)C(C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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