CAS 3121-71-9 | Naphthalen-1-yl propionate | CAS Number 3121-71-9

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3121-71-9 | Naphthalen-1-yl propionate

CAS No: 3121-71-9 Catalog No: AG003EJQ MDL No:MFCD00010496

Product Description

Catalog Number:

AG003EJQ

Chemical Name:

Naphthalen-1-yl propionate

CAS Number:

3121-71-9

Molecular Formula:

C13H12O2

Molecular Weight:

200.2332

MDL Number:

MFCD00010496

IUPAC Name:

naphthalen-1-yl propanoate

InChI:

InChI=1S/C13H12O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3

InChI Key:

FRXPDEZCWCPLIH-UHFFFAOYSA-N

SMILES:

CCC(=O)Oc1cccc2c1cccc2

NSC Number:

408079

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.237g/mol

Monoisotopic Mass:

200.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Purification and characterization of carboxylesterase from the seeds of Jatropha curcas.	The protein journal 20120201
Carboxylesterases from the seeds of an underutilized legume, Mucuna pruriens; isolation, purification and characterization.	Phytochemistry 20111201
An inserted α/β subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase.	PloS one 20110101
A genomic search approach to identify esterases in Propionibacterium freudenreichii involved in the formation of flavour in Emmental cheese.	Microbial cell factories 20080101