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87976-36-1 | Undecanal, 11-(benzoyloxy)-
CAS No: 87976-36-1 Catalog No: AG004IER MDL No:
Product Description
Catalog Number:
AG004IER
Chemical Name:
Undecanal, 11-(benzoyloxy)-
CAS Number:
87976-36-1
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
11-oxoundecyl benzoate
InChI:
InChI=1S/C18H26O3/c19-15-11-6-4-2-1-3-5-7-12-16-21-18(20)17-13-9-8-10-14-17/h8-10,13-15H,1-7,11-12,16H2
InChI Key:
XSMJSGBBCYJZKJ-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCCCOC(=O)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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