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146452-48-4 | 2,3-Hexanediol, 4-methyl-, (2R,3R,4S)-
CAS No: 146452-48-4 Catalog No: AG001E1K MDL No:
Product Description
Catalog Number:
AG001E1K
Chemical Name:
2,3-Hexanediol, 4-methyl-, (2R,3R,4S)-
CAS Number:
146452-48-4
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
4-methylhexane-2,3-diol
InChI:
InChI=1S/C7H16O2/c1-4-5(2)7(9)6(3)8/h5-9H,4H2,1-3H3
InChI Key:
OCXHYXBMBDHYQJ-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@H]([C@H](O)C)O)C
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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