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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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Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & i...
Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & improvement are the lifeblood of our business. Our major focus is to offer pharmaceutical solutions globally. Our core expertise: Development of processes and production of complex molecules for Lifesciences and Specialty Chemicals markets. We are committed to providing customers with products fulfilling customers’ needs and expectations. Maisuriya Pharma Solutions ensures Safety and Reliability with respect to regulations (sustainable development, ISO, GMP), and guarantees total confidentiality.
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Posaconazole
Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & i...
Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & improvement are the lifeblood of our business. Our major focus is to offer pharmaceutical solutions globally. Our core expertise: Development of processes and production of complex molecules for Lifesciences and Specialty Chemicals markets. We are committed to providing customers with products fulfilling customers’ needs and expectations. Maisuriya Pharma Solutions ensures Safety and Reliability with respect to regulations (sustainable development, ISO, GMP), and guarantees total confidentiality.
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