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Home > Other Building Blocks > 113836-71-8
113836-71-8 | 2-Pentanone, 3,3-bis(hydroxymethyl)-4-methyl-
CAS No: 113836-71-8 Catalog No: AG0009UA MDL No:
Product Description
Catalog Number:
AG0009UA
Chemical Name:
2-Pentanone, 3,3-bis(hydroxymethyl)-4-methyl-
CAS Number:
113836-71-8
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
3,3-bis(hydroxymethyl)-4-methylpentan-2-one
InChI:
InChI=1S/C8H16O3/c1-6(2)8(4-9,5-10)7(3)11/h6,9-10H,4-5H2,1-3H3
InChI Key:
BJEPLODEXUSLSL-UHFFFAOYSA-N
SMILES:
OCC(C(=O)C)(C(C)C)CO
Properties
Complexity:
136
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:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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