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89030-34-2

89030-34-2 | 2H-Pyran-2-one, 4-butyl-5,6-dihydro-3-hydroxy-

CAS No: 89030-34-2 Catalog No: AG0043YY MDL No:

Product Description

Catalog Number:
AG0043YY
Chemical Name:
2H-Pyran-2-one, 4-butyl-5,6-dihydro-3-hydroxy-
CAS Number:
89030-34-2
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
4-butyl-5-hydroxy-2,3-dihydropyran-6-one
InChI:
InChI=1S/C9H14O3/c1-2-3-4-7-5-6-12-9(11)8(7)10/h10H,2-6H2,1H3
InChI Key:
GTRMPHMXNILJED-UHFFFAOYSA-N
SMILES:
CCCCC1=C(O)C(=O)OCC1

Properties

Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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