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100313-54-0

100313-54-0 | 2H-Pyran-6-carboxylic acid, 3,4-dihydro-4,5-dihydroxy-

CAS No: 100313-54-0 Catalog No: AG0001LQ MDL No:MFCD18814964

Product Description

Catalog Number:
AG0001LQ
Chemical Name:
2H-Pyran-6-carboxylic acid, 3,4-dihydro-4,5-dihydroxy-
CAS Number:
100313-54-0
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
MDL Number:
MFCD18814964
IUPAC Name:
4,5-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
InChI:
InChI=1S/C6H8O5/c7-3-1-2-11-5(4(3)8)6(9)10/h3,7-8H,1-2H2,(H,9,10)
InChI Key:
DGJSLDRTTXPHQA-UHFFFAOYSA-N
SMILES:
OC1CCOC(=C1O)C(=O)O

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.037g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
160.125g/mol
Monoisotopic Mass:
160.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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