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76207-57-3 | 1,3-benzodioxol-2-imine, hexahydro-, trans-
CAS No: 76207-57-3 Catalog No: AG005EVR MDL No:
Product Description
Catalog Number:
AG005EVR
Chemical Name:
1,3-benzodioxol-2-imine, hexahydro-, trans-
CAS Number:
76207-57-3
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-imine
InChI:
InChI=1S/C7H11NO2/c8-7-9-5-3-1-2-4-6(5)10-7/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChI Key:
WCLTUNKJFLXVFM-PHDIDXHHSA-N
SMILES:
N=C1O[C@H]2[C@H](O1)CCCC2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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