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NCIOpen2_003942,NSC76311,AIDS125567,AIDS-125567,NSC 76311,1-Amino-2-ph

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摘 要:NCIOpen2_003942,NSC76311,AIDS125567,AIDS-125567,NSC 76311,1-Amino-2-phenylcyclopentanecarboxylic acid,5007-32-9, 1-amino-2-phenylcyclopentane-1-carboxylic acid,Canonical SMILES: C1CC(C(C1)(C(=O)O)N)C2=CC=CC=C2,InChI: InChI=1/C12H15NO2/c13-12(11(14)15
[Synonyms]
NCIOpen2_003942
NSC76311
AIDS125567
AIDS-125567
NSC 76311
1-Amino-2-phenylcyclopentanecarboxylic acid
5007-32-9

[Structure]
NCIOpen2_003942,NSC76311,AIDS125567,AIDS-125567,NSC 76311,1-Amino-2-ph

[ Properties Computed from Structure]
Molecular Weight205.253 [g/mol]
Molecular FormulaC12H15NO2
XLogP-1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass205.110279
MonoIsotopic Mass205.110279
Topological Polar Surface Area63.3
Heavy Atom Count15
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-amino-2-phenylcyclopentane-1-carboxylic acid
Canonical SMILES: C1CC(C(C1)(C(=O)O)N)C2=CC=CC=C2
InChI: InChI=1/C12H15NO2/c13-12(11(14)15)8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,
10H,4,7-8,13H2,(H,14,15)/f/h14H

 
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