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183386-20-1 | Furo[3,4-d]isoxazol-4(3aH)-one, 6,6a-dihydro-3-(1-methylethyl)-, cis- (9CI)
CAS No: 183386-20-1 Catalog No: AG00B17E MDL No:
Product Description
Catalog Number:
AG00B17E
Chemical Name:
Furo[3,4-d]isoxazol-4(3aH)-one, 6,6a-dihydro-3-(1-methylethyl)-, cis- (9CI)
CAS Number:
183386-20-1
IUPAC Name:
(3aS,6aR)-3-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
InChI:
InChI=1S/C8H11NO3/c1-4(2)7-6-5(12-9-7)3-11-8(6)10/h4-6H,3H2,1-2H3/t5-,6+/m0/s1
InChI Key:
QSAMERPJTYAISW-NTSWFWBYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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