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806595-58-4

806595-58-4 | 1,3-Cyclopentanedicarboxylicacid, 2-amino-1,2-dimethyl-

CAS No: 806595-58-4 Catalog No: AG005JZZ MDL No:

Product Description

Catalog Number:
AG005JZZ
Chemical Name:
1,3-Cyclopentanedicarboxylicacid, 2-amino-1,2-dimethyl-
CAS Number:
806595-58-4
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
2-amino-1,2-dimethylcyclopentane-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H15NO4/c1-8(7(13)14)4-3-5(6(11)12)9(8,2)10/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
InChI Key:
SWIOFIBYILBOPT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(C1(C)N)(C)C(=O)O

Properties

Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

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