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16466-40-3 | Pentanoic acid, 3-hydroxy-3,4,4-trimethyl-
CAS No: 16466-40-3 Catalog No: AG001V0S MDL No:MFCD20638394
Product Description
Catalog Number:
AG001V0S
Chemical Name:
Pentanoic acid, 3-hydroxy-3,4,4-trimethyl-
CAS Number:
16466-40-3
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
MDL Number:
MFCD20638394
IUPAC Name:
3-hydroxy-3,4,4-trimethylpentanoic acid
InChI:
InChI=1S/C8H16O3/c1-7(2,3)8(4,11)5-6(9)10/h11H,5H2,1-4H3,(H,9,10)
InChI Key:
RTKITZIRJNYAPW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(C)(C)C)(O)C
NSC Number:
59882
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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