Home Carboxys Pentaric acid, 3-C-carboxy-2-deoxy-

Pentaric acid, 3-C-carboxy-2-deoxy-

CAS No.:
6205-14-7
Catalog Number:
AG00IAYS
Molecular Formula:
C6H8O8
Molecular Weight:
208.1229
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Purity
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Product Description
Catalog Number:
AG00IAYS
Chemical Name:
Pentaric acid, 3-C-carboxy-2-deoxy-
CAS Number:
6205-14-7
Molecular Formula:
C6H8O8
Molecular Weight:
208.1229
MDL Number:
MFCD02093093
IUPAC Name:
1,2-dihydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChI Key:
ZMJBYMUCKBYSCP-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(C(=O)O)O)(C(=O)O)O
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
208.122g/mol
Monoisotopic Mass:
208.022g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6  
Literature
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Properties