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83041-29-6 | 1-(5-ISOPROPYLTETRAHYDRO-FURAN-2-YL)-3,3-DIMETHYL-2-BUTANONE
CAS No: 83041-29-6 Catalog No: AG005C8R MDL No:
Product Description
Catalog Number:
AG005C8R
Chemical Name:
1-(5-ISOPROPYLTETRAHYDRO-FURAN-2-YL)-3,3-DIMETHYL-2-BUTANONE
CAS Number:
83041-29-6
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
3,3-dimethyl-1-(5-propan-2-yloxolan-2-yl)butan-2-one
InChI:
InChI=1S/C13H24O2/c1-9(2)11-7-6-10(15-11)8-12(14)13(3,4)5/h9-11H,6-8H2,1-5H3
InChI Key:
BEXBOQQMFNJBMO-UHFFFAOYSA-N
SMILES:
CC(C1CCC(O1)CC(=O)C(C)(C)C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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