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129752-58-5 | Butanoic acid, (1R)-3-(4-hydroxyphenyl)-1-methylpropyl ester
CAS No: 129752-58-5 Catalog No: AG000TMS MDL No:
Product Description
Catalog Number:
AG000TMS
Chemical Name:
Butanoic acid, (1R)-3-(4-hydroxyphenyl)-1-methylpropyl ester
CAS Number:
129752-58-5
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
[(2R)-4-(4-hydroxyphenyl)butan-2-yl] butanoate
InChI:
InChI=1S/C14H20O3/c1-3-4-14(16)17-11(2)5-6-12-7-9-13(15)10-8-12/h7-11,15H,3-6H2,1-2H3/t11-/m1/s1
InChI Key:
SVJBMZIOBAUDHL-LLVKDONJSA-N
SMILES:
CCCC(=O)O[C@@H](CCc1ccc(cc1)O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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