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1228188-25-7 | 3H,5H-Cycloprop[d]oxazolo[3,4-a]pyridin-5-one, hexahydro-3,3-dimethyl-, (5aR,6aR,7aS)-
CAS No: 1228188-25-7 Catalog No: AG000JJ8 MDL No:MFCD21609354
Product Description
Catalog Number:
AG000JJ8
Chemical Name:
3H,5H-Cycloprop[d]oxazolo[3,4-a]pyridin-5-one, hexahydro-3,3-dimethyl-, (5aR,6aR,7aS)-
CAS Number:
1228188-25-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD21609354
IUPAC Name:
(3R,5R,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
InChI:
InChI=1S/C10H15NO2/c1-10(2)11-7(5-13-10)3-6-4-8(6)9(11)12/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChI Key:
LBDBOBOIHMQPRS-BIIVOSGPSA-N
SMILES:
O=C1[C@@H]2C[C@@H]2C[C@@H]2N1C(C)(C)OC2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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