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130650-58-7 | 2-Heptanone, 6-hydroxy-5-methyl-, [R-(R*,S*)]- (9CI)
CAS No: 130650-58-7 Catalog No: AG000URG MDL No:
Product Description
Catalog Number:
AG000URG
Chemical Name:
2-Heptanone, 6-hydroxy-5-methyl-, [R-(R*,S*)]- (9CI)
CAS Number:
130650-58-7
IUPAC Name:
(5S,6R)-6-hydroxy-5-methylheptan-2-one
InChI:
InChI=1S/C8H16O2/c1-6(8(3)10)4-5-7(2)9/h6,8,10H,4-5H2,1-3H3/t6-,8+/m0/s1
InChI Key:
JTPMVCMMYOHLGD-POYBYMJQSA-N
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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