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821772-71-8 | Hexanoic acid, 3,5-dihydroxy-, (3R,5S)-
CAS No: 821772-71-8 Catalog No: AG0058A3 MDL No:
Product Description
Catalog Number:
AG0058A3
Chemical Name:
Hexanoic acid, 3,5-dihydroxy-, (3R,5S)-
CAS Number:
821772-71-8
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
(3R,5S)-3,5-dihydroxyhexanoic acid
InChI:
InChI=1S/C6H12O4/c1-4(7)2-5(8)3-6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)/t4-,5+/m0/s1
InChI Key:
RUSJDZRTPDUURW-CRCLSJGQSA-N
SMILES:
C[C@@H](C[C@H](CC(=O)O)O)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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