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102712-57-2 | Butanedioic acid, 2-methylene-, 1-(2,3-dihydroxypropyl) 4-tetradecyl ester
CAS No: 102712-57-2 Catalog No: AG00086M MDL No:
Product Description
Catalog Number:
AG00086M
Chemical Name:
Butanedioic acid, 2-methylene-, 1-(2,3-dihydroxypropyl) 4-tetradecyl ester
CAS Number:
102712-57-2
Molecular Formula:
C22H40O6
Molecular Weight:
400.5494
IUPAC Name:
1-O-(2,3-dihydroxypropyl) 4-O-tetradecyl 2-methylidenebutanedioate
InChI:
InChI=1S/C22H40O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-21(25)16-19(2)22(26)28-18-20(24)17-23/h20,23-24H,2-18H2,1H3
InChI Key:
HZKDQIYVKWYJKK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)CC(=C)C(=O)OCC(CO)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.282g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.556g/mol
Monoisotopic Mass:
400.282g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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