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10251-17-9,MFCD00046465
Catalog No.:AA0007KD
10251-17-9 | 2-Naphthyl caprylate
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Technical Information
Catalog Number:
AA0007KD
Chemical Name:
2-Naphthyl caprylate
CAS Number:
10251-17-9
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
MDL Number:
MFCD00046465
IUPAC Name:
naphthalen-2-yl octanoate
InChI:
InChI=1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3
InChI Key:
CXVZBUOSDMLXNK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1ccc2c(c1)cccc2
EC Number:
233-591-0
UNII:
1101EWX9DW
NSC Number:
60371
Properties
Computed Properties
 
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  

Synonyms
 
2-naphthyl caprylate 
beta-naphthyl caprylate 
Octanoic acid, 2-naphthyl ester 
Octanoic acid,2-naphthalenyl ester 
EINECS 233-591-0 
NSC 60371 
AI3-32845 
NCIOpen2_002548 
Caprylic acid 2-naphthyl ester 
AC1L33J1 
AC1Q627H 
SCHEMBL1825948 
2-Naphthyl caprylate 
CHEBI:90250 
CTK4A1158 
DTXSID70145235 
CXVZBUOSDMLXNK-UHFFFAOYSA-N 
NSC60371 
ZINC1690168 
MFCD00046465 
NSC-60371 
AKOS022173098 
AX8077521 
10251-17-9 
FT-0613133 
X6704 
K-0312 
N-2220 
2-naphthylcaprylate 
C18H22O2 
CID82494 
AR-1E4297 
C18-H22-O2 
2-Naphthyl caprylate, 98% - 1G 1g 
naphthalen-2-yl octanoate 
103061-94-5 
2-Naphthyl octanoate 
Octanoic acid, 2-naphthalenyl ester 
beta-NAPHTHYL CAPRYLATE 
UNII-1101EWX9DW 
1101EWX9DW 
Literature

Title: Purification and characterization of a pregastric esterase from a hygienized kid rennet paste.

Journal: Journal of dairy science 20040501

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