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CAS 132489-34-0 manufacturers and suppliers on PharmaCompass

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CAS 132489-34-0
Also known as: (2s)-2-(benzyloxy)pentan-3-one, 132489-34-0, (r)-2-benzyloxy-3-pentanone, Benzyloxy-3-pentanone, Schembl8827334, Akos014197677
Molecular Formula
C12H16O2
Molecular Weight
192.25  g/mol
InChI Key
DEOOBELFQJXOAE-UHFFFAOYSA-N

1 2D Structure

CAS 132489-34-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-phenylmethoxypentan-3-one
2.1.2 InChI
InChI=1S/C12H16O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
2.1.3 InChI Key
DEOOBELFQJXOAE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C(C)OCC1=CC=CC=C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (2s)-2-(benzyloxy)pentan-3-one

2. 132489-34-0

3. (r)-2-benzyloxy-3-pentanone

4. Benzyloxy-3-pentanone

5. Schembl8827334

6. Akos014197677

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 192.25 g/mol
Molecular Formula C12H16O2
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass192.115029749 g/mol
Monoisotopic Mass192.115029749 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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URL Supplier Web Content
110931-77-6
Posaconazole
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