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28895-03-6 | 2,5-Hexanedione, 3,4-dimethyl-, (3R,4R)-rel-
CAS No: 28895-03-6 Catalog No: AG002WYW MDL No:
Product Description
Catalog Number:
AG002WYW
Chemical Name:
2,5-Hexanedione, 3,4-dimethyl-, (3R,4R)-rel-
CAS Number:
28895-03-6
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
(3R,4R)-3,4-dimethylhexane-2,5-dione
InChI:
InChI=1S/C8H14O2/c1-5(7(3)9)6(2)8(4)10/h5-6H,1-4H3/t5-,6-/m1/s1
InChI Key:
GECZPGNLQXZLFU-PHDIDXHHSA-N
SMILES:
C[C@H]([C@H](C(=O)C)C)C(=O)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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