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22971-60-4 | 2-Furanpentanoic acid, δ-oxo-
CAS No: 22971-60-4 Catalog No: AG002LQM MDL No:
Product Description
Catalog Number:
AG002LQM
Chemical Name:
2-Furanpentanoic acid, δ-oxo-
CAS Number:
22971-60-4
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
5-(furan-2-yl)-5-oxopentanoic acid
InChI:
InChI=1S/C9H10O4/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6H,1,3,5H2,(H,11,12)
InChI Key:
AYVOKQOMZXAYTL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccco1
NSC Number:
80410
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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