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Home > Indoles and Oxindole > 89772-93-0
89772-93-0 | Indolizine, octahydro-, (R)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 89772-93-0 Catalog No: AG00400S MDL No:
Product Description
Catalog Number:
AG00400S
Chemical Name:
Indolizine, octahydro-, (R)-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
89772-93-0
Molecular Formula:
C14H18N4O7
Molecular Weight:
354.3153
IUPAC Name:
1,2,3,5,6,7,8,8a-octahydroindolizine;2,4,6-trinitrophenol
InChI:
InChI=1S/C8H15N.C6H3N3O7/c1-2-6-9-7-3-5-8(9)4-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8H,1-7H2;1-2,10H
InChI Key:
CLOHYIHHAPWDSJ-UHFFFAOYSA-N
SMILES:
C1CCN2[C@H](C1)CCC2.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.319g/mol
Monoisotopic Mass:
354.118g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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