(S) - (-) -2-Phenoxypropanoic acid

CAT: 0127-OR304082-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR304082-01Size:250 mg

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CAS Number

1912-23-8

Synonyms

(S) - (-) -2-Phenoxypropionic acid

MDL Number

MFCD04038057

Purity

95%

Smiles

C[C@H](Oc1ccccc1)C(=O)O

Chemical Information

(S)-2-Phenoxypropionic acid

CAS Number	1912-23-8
PubChem CID	775997
IUPAC Name	(2S)-2-phenoxypropanoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	150

SMILES

C[C@@H](C(=O)O)OC1=CC=CC=C1

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

InChIKey

SXERGJJQSKIUIC-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1912-23-8

CID: 775997

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR76323-01	3-Oxo-3-phenoxypropanoic acid
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OR944382-01	(S) -2-Aminodecanoic acid
OR1027927-01	(S) -2-Formamidopropanoic Acid

Catalog	Name
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