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17756-71-7

17756-71-7 | 2(5H)-Furanone, 5-(2-methylpropyl)-

CAS No: 17756-71-7 Catalog No: AG0025E4 MDL No:

Product Description

Catalog Number:
AG0025E4
Chemical Name:
2(5H)-Furanone, 5-(2-methylpropyl)-
CAS Number:
17756-71-7
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2-(2-methylpropyl)-2H-furan-5-one
InChI:
InChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6-7H,5H2,1-2H3
InChI Key:
FAILPJXTNDGLGU-UHFFFAOYSA-N
SMILES:
CC(CC1C=CC(=O)O1)C

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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