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189-90-2 | Anthra[2,1,9-def]isoquinoline (7CI,8CI,9CI)
CAS No: 189-90-2 Catalog No: AG002HOL MDL No:
Product Description
Catalog Number:
AG002HOL
Chemical Name:
Anthra[2,1,9-def]isoquinoline (7CI,8CI,9CI)
CAS Number:
189-90-2
Molecular Formula:
C19H11N
Molecular Weight:
253.2973
IUPAC Name:
14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
InChI:
InChI=1S/C19H11N/c1-2-4-16-12(3-1)9-13-5-6-14-10-20-11-15-7-8-17(16)19(13)18(14)15/h1-11H
InChI Key:
MKUUPBYYJLEMHD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c3c2ccc2c3c(cc1)cnc2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.304g/mol
Monoisotopic Mass:
253.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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