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10126-68-8 | 2-Oxetanone, 4-heptadecylidene-3-hexadecyl-
CAS No: 10126-68-8 Catalog No: AG000445 MDL No:
Product Description
Catalog Number:
AG000445
Chemical Name:
2-Oxetanone, 4-heptadecylidene-3-hexadecyl-
CAS Number:
10126-68-8
Molecular Formula:
C36H68O2
Molecular Weight:
532.9239
IUPAC Name:
(4Z)-4-heptadecylidene-3-hexadecyloxetan-2-one
InChI:
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/b35-33-
InChI Key:
NGDLSKPZMOTRTR-OAPYJULQSA-N
SMILES:
CCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCCCC
EC Number:
233-347-3
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
532.522g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.938g/mol
Monoisotopic Mass:
532.522g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
17
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