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74459-24-8 | 1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy-, (S)-
CAS No: 74459-24-8 Catalog No: AG005BFT MDL No:
Product Description
Catalog Number:
AG005BFT
Chemical Name:
1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy-, (S)-
CAS Number:
74459-24-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
(3S)-3-butyl-4-hydroxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C12H14O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-6,10,13H,2-3,7H2,1H3/t10-/m0/s1
InChI Key:
JQSVHBFDZXZENO-JTQLQIEISA-N
SMILES:
CCCC[C@@H]1OC(=O)c2c1c(O)ccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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