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88495-48-1 | 2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-
CAS No: 88495-48-1 Catalog No: AG0049GW MDL No:
Product Description
Catalog Number:
AG0049GW
Chemical Name:
2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-
CAS Number:
88495-48-1
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
IUPAC Name:
4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
InChI:
InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3
InChI Key:
REAWNMHCBIUKLZ-UHFFFAOYSA-N
SMILES:
OCC1COC(=O)C1C(=O)CCCCC(C)C
Properties
Complexity:
273
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:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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