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1256341-22-6 | 2-[(2-tetradecoxyphenyl)carbamoyl]benzoic acid
CAS No: 1256341-22-6 Catalog No: AG01FGAH MDL No:
Product Description
Catalog Number:
AG01FGAH
Chemical Name:
2-[(2-tetradecoxyphenyl)carbamoyl]benzoic acid
CAS Number:
1256341-22-6
Molecular Formula:
C28H39NO4
Molecular Weight:
453.6136
IUPAC Name:
2-[(2-tetradecoxyphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C28H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-33-26-21-16-15-20-25(26)29-27(30)23-18-13-14-19-24(23)28(31)32/h13-16,18-21H,2-12,17,22H2,1H3,(H,29,30)(H,31,32)
InChI Key:
WOEDXTWDPRNPMZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1ccccc1C(=O)O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.288g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.623g/mol
Monoisotopic Mass:
453.288g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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