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113422-79-0 | 1-Tetradecanol, 1-(4-aminobenzoate)
CAS No: 113422-79-0 Catalog No: AG0008JJ MDL No:
Product Description
Catalog Number:
AG0008JJ
Chemical Name:
1-Tetradecanol, 1-(4-aminobenzoate)
CAS Number:
113422-79-0
Molecular Formula:
C21H37NO3
Molecular Weight:
351.5234
IUPAC Name:
4-aminobenzoic acid;tetradecan-1-ol
InChI:
InChI=1S/C14H30O.C7H7NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;8-6-3-1-5(2-4-6)7(9)10/h15H,2-14H2,1H3;1-4H,8H2,(H,9,10)
InChI Key:
GMQCDWFGXWYLOG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)O.CCCCCCCCCCCCCCO
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.277g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.531g/mol
Monoisotopic Mass:
351.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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