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tADA,Lopac-A-243,Lopac-A-244,A244_SIGMA,AD-2,4-DC ,Azetidine-2,4-dicar

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摘 要:tADA,Lopac-A-243,Lopac-A-244,A244_SIGMA,AD-2,4-DC ,Azetidine-2,4-dicarboxylic acid ,trans-Azetidine-2,4-dicarboxylic acid ,NCGC00015022-01,NCGC00015022-02,trans-(+-)-2,4-Azetidinedicarboxylic acid, (2R,4R)-azetidine-2,4-dicarboxylic acid,Canonical SM
[Synonyms]
tADA
Lopac-A-243
Lopac-A-244
A244_SIGMA
AD-2,4-DC
Azetidine-2,4-dicarboxylic acid
trans-Azetidine-2,4-dicarboxylic acid
NCGC00015022-01
NCGC00015022-02
trans-(+-)-2,4-Azetidinedicarboxylic acid

[Structure]
tADA,Lopac-A-243,Lopac-A-244,A244_SIGMA,AD-2,4-DC ,Azetidine-2,4-dicar

[ Properties Computed from Structure]
Molecular Weight145.11338 [g/mol]
Molecular FormulaC5H7NO4
XLogP-3.2
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count2
Exact Mass145.037508
MonoIsotopic Mass145.037508
Topological Polar Surface Area86.6
Heavy Atom Count10
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R,4R)-azetidine-2,4-dicarboxylic acid
Canonical SMILES: C1C(NC1C(=O)O)C(=O)O
Isomeric SMILES: C1[C@@H](N[C@H]1C(=O)O)C(=O)O
InChI: InChI=1/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,
3-/m1/s1/f/h7,9H

 
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