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821772-72-9 | Hexanoic acid, 5-hydroxy-3-oxo-, (5R)-
CAS No: 821772-72-9 Catalog No: AG0058A2 MDL No:
Product Description
Catalog Number:
AG0058A2
Chemical Name:
Hexanoic acid, 5-hydroxy-3-oxo-, (5R)-
CAS Number:
821772-72-9
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
(5R)-5-hydroxy-3-oxohexanoic acid
InChI:
InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h4,7H,2-3H2,1H3,(H,9,10)/t4-/m1/s1
InChI Key:
ZQPJZYKENZNLOW-SCSAIBSYSA-N
SMILES:
C[C@H](CC(=O)CC(=O)O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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