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147136-15-0 | 2(3H)-Furanone, dihydro-5-(2,4,4-trimethylpentyl)-
CAS No: 147136-15-0 Catalog No: AG001ENK MDL No:
Product Description
Catalog Number:
AG001ENK
Chemical Name:
2(3H)-Furanone, dihydro-5-(2,4,4-trimethylpentyl)-
CAS Number:
147136-15-0
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
5-(2,4,4-trimethylpentyl)oxolan-2-one
InChI:
InChI=1S/C12H22O2/c1-9(8-12(2,3)4)7-10-5-6-11(13)14-10/h9-10H,5-8H2,1-4H3
InChI Key:
PHPLCXOUKZCERZ-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)CC1CCC(=O)O1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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