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87792-25-4 | [(2-hydroxy-1-phenylethyl)sulfanyl]acetic acid
CAS No: 87792-25-4 Catalog No: AG004KS7 MDL No:
Product Description
Catalog Number:
AG004KS7
Chemical Name:
[(2-hydroxy-1-phenylethyl)sulfanyl]acetic acid
CAS Number:
87792-25-4
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
2-(2-hydroxy-1-phenylethyl)sulfanylacetic acid
InChI:
InChI=1S/C10H12O3S/c11-6-9(14-7-10(12)13)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChI Key:
MEKMDLMJEMUFQC-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)SCC(=O)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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