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122584-55-8 | 2-Oxiraneoctanoic acid, 3-phenyl-, butyl ester
CAS No: 122584-55-8 Catalog No: AG0017HI MDL No:
Product Description
Catalog Number:
AG0017HI
Chemical Name:
2-Oxiraneoctanoic acid, 3-phenyl-, butyl ester
CAS Number:
122584-55-8
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
IUPAC Name:
butyl 8-(3-phenyloxiran-2-yl)octanoate
InChI:
InChI=1S/C20H30O3/c1-2-3-16-22-19(21)15-11-6-4-5-10-14-18-20(23-18)17-12-8-7-9-13-17/h7-9,12-13,18,20H,2-6,10-11,14-16H2,1H3
InChI Key:
KCBPANSZZGNRSX-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCCCCCCC1OC1c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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