Home Other Building Blocks 2,3-dihydroxy-4-methoxy-4-oxobutanoic acid

2,3-dihydroxy-4-methoxy-4-oxobutanoic acid

CAS No.:
860708-13-0
Catalog Number:
AG01A3YU
Molecular Formula:
C5H8O6
Molecular Weight:
164.1134
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Product Description
Catalog Number:
AG01A3YU
Chemical Name:
2,3-dihydroxy-4-methoxy-4-oxobutanoic acid
CAS Number:
860708-13-0
Molecular Formula:
C5H8O6
Molecular Weight:
164.1134
MDL Number:
MFCD20642793
IUPAC Name:
2,3-dihydroxy-4-methoxy-4-oxobutanoic acid
InChI:
InChI=1S/C5H8O6/c1-11-5(10)3(7)2(6)4(8)9/h2-3,6-7H,1H3,(H,8,9)
InChI Key:
GBJFSZCDZHSAOP-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(=O)O)O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
164.113g/mol
Monoisotopic Mass:
164.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties