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2768-42-5 | Benzenepropanoic acid, β-hydroxy-, (βR)-
CAS No: 2768-42-5 Catalog No: AG002UFB MDL No:MFCD00145219
Product Description
Catalog Number:
AG002UFB
Chemical Name:
Benzenepropanoic acid, β-hydroxy-, (βR)-
CAS Number:
2768-42-5
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00145219
IUPAC Name:
(3R)-3-hydroxy-3-phenylpropanoic acid
InChI:
InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChI Key:
AYOLELPCNDVZKZ-MRVPVSSYSA-N
SMILES:
O[C@@H](c1ccccc1)CC(=O)O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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