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210713-60-3

210713-60-3 | 1,2,4-Butanetricarboxylic acid, 2-hydroxy-, (2S)-

CAS No: 210713-60-3 Catalog No: AG002KXW MDL No:

Product Description

Catalog Number:
AG002KXW
Chemical Name:
1,2,4-Butanetricarboxylic acid, 2-hydroxy-, (2S)-
CAS Number:
210713-60-3
Molecular Formula:
C7H10O7
Molecular Weight:
206.1501
IUPAC Name:
(2S)-2-hydroxybutane-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m0/s1
InChI Key:
XKJVEVRQMLKSMO-ZETCQYMHSA-N
SMILES:
OC(=O)CC[C@@](C(=O)O)(CC(=O)O)O

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
206.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
206.15g/mol
Monoisotopic Mass:
206.043g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

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