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10039-39-1

10039-39-1 | 3-Furanol, 5-hexyltetrahydro-, 3-acetate

CAS No: 10039-39-1 Catalog No: AG0001VP MDL No:

Product Description

Catalog Number:
AG0001VP
Chemical Name:
3-Furanol, 5-hexyltetrahydro-, 3-acetate
CAS Number:
10039-39-1
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
(5-hexyloxolan-3-yl) acetate
InChI:
InChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3
InChI Key:
IAJCTZJZXRAPDK-UHFFFAOYSA-N
SMILES:
CCCCCCC1OCC(C1)OC(=O)C
EC Number:
600-089-1
FEMA Number:
2566

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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