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128262-58-8 | Benzoic acid, 4-[(ditetradecylamino)carbonyl]-2,3-dimethoxy-
CAS No: 128262-58-8 Catalog No: AG000XY7 MDL No:
Product Description
Catalog Number:
AG000XY7
Chemical Name:
Benzoic acid, 4-[(ditetradecylamino)carbonyl]-2,3-dimethoxy-
CAS Number:
128262-58-8
Molecular Formula:
C38H67NO5
Molecular Weight:
617.9423
IUPAC Name:
4-[di(tetradecyl)carbamoyl]-2,3-dimethoxybenzoic acid
InChI:
InChI=1S/C38H67NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-39(32-28-26-24-22-20-18-16-14-12-10-8-6-2)37(40)33-29-30-34(38(41)42)36(44-4)35(33)43-3/h29-30H,5-28,31-32H2,1-4H3,(H,41,42)
InChI Key:
ZSJRCHYAVUYWFR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN(C(=O)c1ccc(c(c1OC)OC)C(=O)O)CCCCCCCCCCCCCC
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
617.502g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
617.956g/mol
Monoisotopic Mass:
617.502g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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