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138115-02-3 | Butanedioic acid, 2-methylene-, 1-docosyl ester
CAS No: 138115-02-3 Catalog No: AG00180P MDL No:
Product Description
Catalog Number:
AG00180P
Chemical Name:
Butanedioic acid, 2-methylene-, 1-docosyl ester
CAS Number:
138115-02-3
Molecular Formula:
C27H49O4-
Molecular Weight:
437.6756
IUPAC Name:
3-docosoxycarbonylbut-3-enoate
InChI:
InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-27(30)25(2)24-26(28)29/h2-24H2,1H3,(H,28,29)/p-1
InChI Key:
NXUJQEDEZOWYEM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)CC(=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.363g/mol
Formal Charge:
-1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.685g/mol
Monoisotopic Mass:
437.363g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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