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138903-66-9 | Heptanoic acid, 6-(benzoyloxy)-7-hydroxy-, methyl ester, (R)- (9CI)
CAS No: 138903-66-9 Catalog No: AG0019SQ MDL No:
Product Description
Catalog Number:
AG0019SQ
Chemical Name:
Heptanoic acid, 6-(benzoyloxy)-7-hydroxy-, methyl ester, (R)- (9CI)
CAS Number:
138903-66-9
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
IUPAC Name:
[(2R)-1-hydroxy-7-methoxy-7-oxoheptan-2-yl] benzoate
InChI:
InChI=1S/C15H20O5/c1-19-14(17)10-6-5-9-13(11-16)20-15(18)12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3/t13-/m1/s1
InChI Key:
IAZULASKGRBDAT-CYBMUJFWSA-N
SMILES:
OC[C@H](OC(=O)c1ccccc1)CCCCC(=O)OC
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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