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70682-72-3

70682-72-3 | Benzoic acid n-tetradecyl ester

CAS No: 70682-72-3 Catalog No: AG0038H5 MDL No:

Product Description

Catalog Number:
AG0038H5
Chemical Name:
Benzoic acid n-tetradecyl ester
CAS Number:
70682-72-3
Molecular Formula:
C21H34O2
Molecular Weight:
318.4935
IUPAC Name:
tetradecyl benzoate
InChI:
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
InChI Key:
YQOBYINWABKLFC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)c1ccccc1
EC Number:
274-753-0
UNII:
76OEO03Y04

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.256g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.501g/mol
Monoisotopic Mass:
318.256g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9  

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