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138101-10-7 | 1,6-Benzodioxocin-7,9-diamine, 2,3,4,5-tetrahydro-
CAS No: 138101-10-7 Catalog No: AG0017ZY MDL No:
Product Description
Catalog Number:
AG0017ZY
Chemical Name:
1,6-Benzodioxocin-7,9-diamine, 2,3,4,5-tetrahydro-
CAS Number:
138101-10-7
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
2,3,4,5-tetrahydro-1,6-benzodioxocine-7,9-diamine
InChI:
InChI=1S/C10H14N2O2/c11-7-5-8(12)10-9(6-7)13-3-1-2-4-14-10/h5-6H,1-4,11-12H2
InChI Key:
KBMNINMTJBXCEV-UHFFFAOYSA-N
SMILES:
Nc1cc2OCCCCOc2c(c1)N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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