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119502-29-3

119502-29-3 | 2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(1-oxononyl)-

CAS No: 119502-29-3 Catalog No: AG000IW4 MDL No:

Product Description

Catalog Number:
AG000IW4
Chemical Name:
2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(1-oxononyl)-
CAS Number:
119502-29-3
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
4-(hydroxymethyl)-3-nonanoyloxolan-2-one
InChI:
InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-12(16)13-11(9-15)10-18-14(13)17/h11,13,15H,2-10H2,1H3
InChI Key:
WAKOYNFYOGEMRV-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)C1C(CO)COC1=O

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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