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131897-89-7 | Pentanoic acid, 3-hydroxy-2-methyl-, (2S,3S)-
CAS No: 131897-89-7 Catalog No: AG000ZW1 MDL No:
Product Description
Catalog Number:
AG000ZW1
Chemical Name:
Pentanoic acid, 3-hydroxy-2-methyl-, (2S,3S)-
CAS Number:
131897-89-7
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
(2S,3S)-3-hydroxy-2-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChI Key:
NVIHALDXJWGLFD-WHFBIAKZSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)C)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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