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123311-25-1 | Indeno[1,2,3-cd]pyren-12-amine
CAS No: 123311-25-1 Catalog No: AG000KBS MDL No:
Product Description
Catalog Number:
AG000KBS
Chemical Name:
Indeno[1,2,3-cd]pyren-12-amine
CAS Number:
123311-25-1
Molecular Formula:
C22H13N
Molecular Weight:
291.3453
IUPAC Name:
hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaen-10-amine
InChI:
InChI=1S/C22H13N/c23-19-11-18-15-7-2-1-6-14(15)17-10-13-5-3-4-12-8-9-16(19)22(20(12)13)21(17)18/h1-11H,23H2
InChI Key:
WVGOOTWNYBOJKX-UHFFFAOYSA-N
SMILES:
Nc1cc2c3ccccc3c3c2c2c1ccc1c2c(c3)ccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.353g/mol
Monoisotopic Mass:
291.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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