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10276-85-4 | Octanoic acid, phenylmethyl ester
CAS No: 10276-85-4 Catalog No: AG0008B7 MDL No:
Product Description
Catalog Number:
AG0008B7
Chemical Name:
Octanoic acid, phenylmethyl ester
CAS Number:
10276-85-4
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
benzyl octanoate
InChI:
InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChI Key:
MWQWCHLIPMDVLS-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCc1ccccc1
EC Number:
233-620-7
NSC Number:
23754
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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