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99922-92-6 | 4(1H)-Acridinone, 9-butyl-2,3,5,6,7,8-hexahydro-
CAS No: 99922-92-6 Catalog No: AG003VUC MDL No:
Product Description
Catalog Number:
AG003VUC
Chemical Name:
4(1H)-Acridinone, 9-butyl-2,3,5,6,7,8-hexahydro-
CAS Number:
99922-92-6
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
IUPAC Name:
9-butyl-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
InChI:
InChI=1S/C17H23NO/c1-2-3-7-12-13-8-4-5-10-15(13)18-17-14(12)9-6-11-16(17)19/h2-11H2,1H3
InChI Key:
QBPDEDBUTGNVEL-UHFFFAOYSA-N
SMILES:
CCCCc1c2CCCCc2nc2c1CCCC2=O
NSC Number:
650739
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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