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79368-80-2 | Propanoicacid, 2,3-bis(tetradecyloxy)-, dodecyl ester
CAS No: 79368-80-2 Catalog No: AG00521J MDL No:
Product Description
Catalog Number:
AG00521J
Chemical Name:
Propanoicacid, 2,3-bis(tetradecyloxy)-, dodecyl ester
CAS Number:
79368-80-2
Molecular Formula:
C43H86O4
Molecular Weight:
667.1405
IUPAC Name:
dodecyl 2,3-di(tetradecoxy)propanoate
InChI:
InChI=1S/C43H86O4/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-45-41-42(43(44)47-40-37-34-31-27-21-18-15-12-9-6-3)46-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChI Key:
KYQHRLDDRVZEAO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOCC(C(=O)OCCCCCCCCCCCC)OCCCCCCCCCCCCCC
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.653g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
667.157g/mol
Monoisotopic Mass:
666.653g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
18.8
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