Home Other Building Blocks (3S)-3-hydroxy-4-methylpentanoic acid

(3S)-3-hydroxy-4-methylpentanoic acid

CAS No.:
63674-22-6
Catalog Number:
AG01AFNI
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01AFNI
Chemical Name:
(3S)-3-hydroxy-4-methylpentanoic acid
CAS Number:
63674-22-6
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD19228113
IUPAC Name:
(3S)-3-hydroxy-4-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChI Key:
BOAHYOWLXYZJSN-YFKPBYRVSA-N
SMILES:
O[C@H](C(C)C)CC(=O)O
Properties
Complexity:
98.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0.4  
Properties