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164333-77-1 | Benzenepropanoic acid, α-hydroxy-α-methyl-, (αS)-
CAS No: 164333-77-1 Catalog No: AG001USS MDL No:MFCD05663552
Product Description
Catalog Number:
AG001USS
Chemical Name:
Benzenepropanoic acid, α-hydroxy-α-methyl-, (αS)-
CAS Number:
164333-77-1
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD05663552
IUPAC Name:
(2S)-2-hydroxy-2-methyl-3-phenylpropanoic acid
InChI:
InChI=1S/C10H12O3/c1-10(13,9(11)12)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)/t10-/m0/s1
InChI Key:
IBIBMVNOBCIJNU-JTQLQIEISA-N
SMILES:
OC(=O)[C@](Cc1ccccc1)(O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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