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1912-23-8 | Propanoic acid, 2-phenoxy-, (2S)-
CAS No: 1912-23-8 Catalog No: AG002F3R MDL No:
Product Description
Catalog Number:
AG002F3R
Chemical Name:
Propanoic acid, 2-phenoxy-, (2S)-
CAS Number:
1912-23-8
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
(2S)-2-phenoxypropanoic acid
InChI:
InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChI Key:
SXERGJJQSKIUIC-ZETCQYMHSA-N
SMILES:
C[C@@H](C(=O)O)Oc1ccccc1
EC Number:
606-232-4
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:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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