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151-11-1

151-11-1 | Pentanoic acid, 5-hydroxy-3-methyl-

CAS No: 151-11-1 Catalog No: AG001N02 MDL No:

Product Description

Catalog Number:
AG001N02
Chemical Name:
Pentanoic acid, 5-hydroxy-3-methyl-
CAS Number:
151-11-1
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
5-hydroxy-3-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-5(2-3-7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChI Key:
MLYKGFBBFUYWHJ-UHFFFAOYSA-N
SMILES:
OCCC(CC(=O)O)C

Properties

Complexity:
90.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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