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140174-19-2 | Benzeneacetic acid, 4-(octadecylamino)-
CAS No: 140174-19-2 Catalog No: AG001C43 MDL No:
Product Description
Catalog Number:
AG001C43
Chemical Name:
Benzeneacetic acid, 4-(octadecylamino)-
CAS Number:
140174-19-2
Molecular Formula:
C26H45NO2
Molecular Weight:
403.6410
IUPAC Name:
2-[4-(octadecylamino)phenyl]acetic acid
InChI:
InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(19-21-25)23-26(28)29/h18-21,27H,2-17,22-23H2,1H3,(H,28,29)
InChI Key:
WEYWEJYMLDUHER-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNc1ccc(cc1)CC(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.345g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.651g/mol
Monoisotopic Mass:
403.345g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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