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15546-00-6 | Hexanoic acid, 6-hydroxy-, (tetrahydro-2-furanyl)methyl ester
CAS No: 15546-00-6 Catalog No: AG001NY6 MDL No:
Product Description
Catalog Number:
AG001NY6
Chemical Name:
Hexanoic acid, 6-hydroxy-, (tetrahydro-2-furanyl)methyl ester
CAS Number:
15546-00-6
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
oxolan-2-ylmethyl 6-hydroxyhexanoate
InChI:
InChI=1S/C11H20O4/c12-7-3-1-2-6-11(13)15-9-10-5-4-8-14-10/h10,12H,1-9H2
InChI Key:
VOVXGHRVLXXEHG-UHFFFAOYSA-N
SMILES:
OCCCCCC(=O)OCC1CCCO1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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