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113426-29-2 | 2H-Pyran-2-one, tetrahydro-3-(hydroxyphenylmethyl)-
CAS No: 113426-29-2 Catalog No: AG0008K5 MDL No:
Product Description
Catalog Number:
AG0008K5
Chemical Name:
2H-Pyran-2-one, tetrahydro-3-(hydroxyphenylmethyl)-
CAS Number:
113426-29-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
3-[hydroxy(phenyl)methyl]oxan-2-one
InChI:
InChI=1S/C12H14O3/c13-11(9-5-2-1-3-6-9)10-7-4-8-15-12(10)14/h1-3,5-6,10-11,13H,4,7-8H2
InChI Key:
XSSOCUFIZBXQBV-UHFFFAOYSA-N
SMILES:
OC(C1CCCOC1=O)c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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