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10251-17-9 | Octanoic acid, 2-naphthalenyl ester
CAS No: 10251-17-9 Catalog No: AG0007N5 MDL No:MFCD00046465
Product Description
Catalog Number:
AG0007N5
Chemical Name:
Octanoic acid, 2-naphthalenyl ester
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
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
Literature
| Title | Journal |
|---|---|
| Purification and characterization of a pregastric esterase from a hygienized kid rennet paste. | Journal of dairy science 20040501 |
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