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125473-35-0 | 2H-Pyran-3(6H)-one, 6-hydroxy-2-pentyl-
CAS No: 125473-35-0 Catalog No: AG000NPP MDL No:
Product Description
Catalog Number:
AG000NPP
Chemical Name:
2H-Pyran-3(6H)-one, 6-hydroxy-2-pentyl-
CAS Number:
125473-35-0
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
2-hydroxy-6-pentyl-2H-pyran-5-one
InChI:
InChI=1S/C10H16O3/c1-2-3-4-5-9-8(11)6-7-10(12)13-9/h6-7,9-10,12H,2-5H2,1H3
InChI Key:
SSNIKVRJASRLNC-UHFFFAOYSA-N
SMILES:
CCCCCC1OC(O)C=CC1=O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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