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101831-70-3 | Dodecanoic acid, 2-methoxy-4-[[(1-oxododecyl)amino]methyl]phenyl ester
CAS No: 101831-70-3 Catalog No: AG0005OF MDL No:
Product Description
Catalog Number:
AG0005OF
Chemical Name:
Dodecanoic acid, 2-methoxy-4-[[(1-oxododecyl)amino]methyl]phenyl ester
CAS Number:
101831-70-3
Molecular Formula:
C32H55NO4
Molecular Weight:
517.7834
IUPAC Name:
[4-[(dodecanoylamino)methyl]-2-methoxyphenyl] dodecanoate
InChI:
InChI=1S/C32H55NO4/c1-4-6-8-10-12-14-16-18-20-22-31(34)33-27-28-24-25-29(30(26-28)36-3)37-32(35)23-21-19-17-15-13-11-9-7-5-2/h24-26H,4-23,27H2,1-3H3,(H,33,34)
InChI Key:
LXMZJNLZSXKQCB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)NCc1ccc(c(c1)OC)OC(=O)CCCCCCCCCCC
NSC Number:
663979
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.413g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
517.795g/mol
Monoisotopic Mass:
517.413g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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