Home Other Building Blocks (S)-Methyl 3-hydroxypentanoate

(S)-Methyl 3-hydroxypentanoate

CAS No.:
42558-50-9
Catalog Number:
AG003AY3
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG003AY3
Chemical Name:
(S)-Methyl 3-hydroxypentanoate
CAS Number:
42558-50-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
methyl (3S)-3-hydroxypentanoate
InChI:
InChI=1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
XHFXKKFVUDJSPJ-YFKPBYRVSA-N
SMILES:
CC[C@@H](CC(=O)OC)O
Properties
Complexity:
90.3  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties