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175407-56-4 | 4,6-Methano-2,1-benzisoxazole,4,5,6,7-tetrahydro-5,5-dimethyl-(9CI)
CAS No: 175407-56-4 Catalog No: AG00BADB MDL No:
Product Description
Catalog Number:
AG00BADB
Chemical Name:
4,6-Methano-2,1-benzisoxazole,4,5,6,7-tetrahydro-5,5-dimethyl-(9CI)
CAS Number:
175407-56-4
IUPAC Name:
(1S,8S)-9,9-dimethyl-4-oxa-5-azatricyclo[6.1.1.02,6]deca-2,5-diene
InChI:
InChI=1S/C10H13NO/c1-10(2)6-3-8(10)7-5-12-11-9(7)4-6/h5-6,8H,3-4H2,1-2H3/t6-,8+/m0/s1
InChI Key:
GRGXIBOBMHBUAQ-POYBYMJQSA-N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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