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Home > Other Heterocycles > 132517-58-9
132517-58-9 | Hexanoic acid, 6-hydroxy-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
CAS No: 132517-58-9 Catalog No: AG0010RX MDL No:
Product Description
Catalog Number:
AG0010RX
Chemical Name:
Hexanoic acid, 6-hydroxy-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
CAS Number:
132517-58-9
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
IUPAC Name:
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 6-hydroxyhexanoate
InChI:
InChI=1S/C13H22O4/c14-7-3-1-2-4-13(15)16-9-10-5-6-11-12(8-10)17-11/h10-12,14H,1-9H2
InChI Key:
BBDCTMGFIXVWHR-UHFFFAOYSA-N
SMILES:
OCCCCCC(=O)OCC1CCC2C(C1)O2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.315g/mol
Monoisotopic Mass:
242.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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