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139584-06-8 2-methylfluoranthen-1-amine,Canonical SMILES: CC1=C(C2=C3C

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摘 要:139584-06-8 2-methylfluoranthen-1-amine,Canonical SMILES: CC1=C(C2=C3C(=C1)C=CC=C3C4=CC=CC=C42)N,InChI: InChI=1/C17H13N/c1-10-9-11-5-4-8-13-12-6-2-3-7-14(12)16(15(11)13)17(10),18/h2-9H,18H2,1H3,Molecular Weight231.29182 [g/mol]Molecular FormulaC17H13
[Synonyms]
139584-06-8
[Structure]
139584-06-8 2-methylfluoranthen-1-amine,Canonical SMILES: CC1=C(C2=C3C

[ Properties Computed from Structure]
Molecular Weight231.29182 [g/mol]
Molecular FormulaC17H13N
XLogP4.6
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass231.104799
MonoIsotopic Mass231.104799
Topological Polar Surface Area26
Heavy Atom Count18
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-methylfluoranthen-1-amine
Canonical SMILES: CC1=C(C2=C3C(=C1)C=CC=C3C4=CC=CC=C42)N
InChI: InChI=1/C17H13N/c1-10-9-11-5-4-8-13-12-6-2-3-7-14(12)16(15(11)13)17(10)
18/h2-9H,18H2,1H3

 
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