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88456-83-1 | 2-Furanacetic acid, 5-hexyltetrahydro-, trans-
CAS No: 88456-83-1 Catalog No: AG004DXI MDL No:
Product Description
Catalog Number:
AG004DXI
Chemical Name:
2-Furanacetic acid, 5-hexyltetrahydro-, trans-
CAS Number:
88456-83-1
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
2-(5-hexyloxolan-2-yl)acetic acid
InChI:
InChI=1S/C12H22O3/c1-2-3-4-5-6-10-7-8-11(15-10)9-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChI Key:
OBISKJWYXAJNMG-UHFFFAOYSA-N
SMILES:
CCCCCC[C@H]1CC[C@@H](O1)CC(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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