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88324-89-4 | 2-Heptanol, 1-mercapto-, (R)-
CAS No: 88324-89-4 Catalog No: AG0047DU MDL No:
Product Description
Catalog Number:
AG0047DU
Chemical Name:
2-Heptanol, 1-mercapto-, (R)-
CAS Number:
88324-89-4
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
IUPAC Name:
(2R)-1-sulfanylheptan-2-ol
InChI:
InChI=1S/C7H16OS/c1-2-3-4-5-7(8)6-9/h7-9H,2-6H2,1H3/t7-/m1/s1
InChI Key:
IWQOEJXXWNYAPV-SSDOTTSWSA-N
SMILES:
CCCCC[C@H](CS)O
Properties
Complexity:
56.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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