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126048-07-5 | Hexanoic acid, 6-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester
CAS No: 126048-07-5 Catalog No: AG000QUD MDL No:
Product Description
Catalog Number:
AG000QUD
Chemical Name:
Hexanoic acid, 6-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester
CAS Number:
126048-07-5
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
methyl 6-(oxan-2-yloxy)hexanoate
InChI:
InChI=1S/C12H22O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h12H,2-10H2,1H3
InChI Key:
RXIZPTUJJOZXSR-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCOC1CCCCO1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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