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1817631-47-2 | 3H,5H-Pyrrolo[1,2-c]oxazol-5-one, 7-ethyltetrahydro-3,3-dimethyl-, (7R,7aS)-
CAS No: 1817631-47-2 Catalog No: AG002336 MDL No:
Product Description
Catalog Number:
AG002336
Chemical Name:
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, 7-ethyltetrahydro-3,3-dimethyl-, (7R,7aS)-
CAS Number:
1817631-47-2
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(7R,7aS)-7-ethyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C10H17NO2/c1-4-7-5-9(12)11-8(7)6-13-10(11,2)3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChI Key:
WULZKGXMMIHGOX-HTQZYQBOSA-N
SMILES:
CC[C@@H]1CC(=O)N2[C@@H]1COC2(C)C
Properties
Complexity:
237
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
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