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334700-48-0 | (2S,3S,4aR,8aR)-2,3,4a,8a-Tetrahydro-7-iodo-2,3-diMethoxy-2,3-diMethyl-1,4-benzodioxin-6(5H)-one
CAS No: 334700-48-0 Catalog No: AG00C9JV MDL No:
Product Description
Catalog Number:
AG00C9JV
Chemical Name:
(2S,3S,4aR,8aR)-2,3,4a,8a-Tetrahydro-7-iodo-2,3-diMethoxy-2,3-diMethyl-1,4-benzodioxin-6(5H)-one
CAS Number:
334700-48-0
IUPAC Name:
(2S,3S,4aR,8aR)-6-iodo-2,3-dimethoxy-2,3-dimethyl-8,8a-dihydro-4aH-1,4-benzodioxin-7-one
InChI:
InChI=1S/C12H17IO5/c1-11(15-3)12(2,16-4)18-10-6-8(14)7(13)5-9(10)17-11/h5,9-10H,6H2,1-4H3/t9-,10-,11+,12+/m1/s1
InChI Key:
KCDMXJPJSNKXGT-WYUUTHIRSA-N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
368.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.167g/mol
Monoisotopic Mass:
368.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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