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89684-80-0 | Benzoic acid, 4-[(dodecylamino)carbonyl]-, methyl ester
CAS No: 89684-80-0 Catalog No: AG0044HF MDL No:
Product Description
Catalog Number:
AG0044HF
Chemical Name:
Benzoic acid, 4-[(dodecylamino)carbonyl]-, methyl ester
CAS Number:
89684-80-0
Molecular Formula:
C21H33NO3
Molecular Weight:
347.4916
IUPAC Name:
methyl 4-(dodecylcarbamoyl)benzoate
InChI:
InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-12-17-22-20(23)18-13-15-19(16-14-18)21(24)25-2/h13-16H,3-12,17H2,1-2H3,(H,22,23)
InChI Key:
KIUCHJWIVDMSFY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.499g/mol
Monoisotopic Mass:
347.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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