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83826-15-7 | Butanedioic acid, hexadecyl-, diethyl ester
CAS No: 83826-15-7 Catalog No: AG004S6E MDL No:
Product Description
Catalog Number:
AG004S6E
Chemical Name:
Butanedioic acid, hexadecyl-, diethyl ester
CAS Number:
83826-15-7
Molecular Formula:
C24H46O4
Molecular Weight:
398.6196
IUPAC Name:
diethyl 2-hexadecylbutanedioate
InChI:
InChI=1S/C24H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24(26)28-6-3)21-23(25)27-5-2/h22H,4-21H2,1-3H3
InChI Key:
CXAHCVRZFSIOIR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OCC)CC(=O)OCC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.34g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.628g/mol
Monoisotopic Mass:
398.34g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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