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150-96-9 | Pentanoic acid, 3-hydroxy-3-methyl-
CAS No: 150-96-9 Catalog No: AG001M7W MDL No:MFCD00059657
Product Description
Catalog Number:
AG001M7W
Chemical Name:
Pentanoic acid, 3-hydroxy-3-methyl-
CAS Number:
150-96-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD00059657
IUPAC Name:
3-hydroxy-3-methylpentanoic acid
InChI:
InChI=1S/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChI Key:
KEGHVPSZIWXTPY-UHFFFAOYSA-N
SMILES:
CC(CC)(CC(=O)O)O
Properties
Complexity:
111
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:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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