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101885-60-3 | Hexadecanoic acid, 2-(acetylamino)-
CAS No: 101885-60-3 Catalog No: AG0005UM MDL No:
Product Description
Catalog Number:
AG0005UM
Chemical Name:
Hexadecanoic acid, 2-(acetylamino)-
CAS Number:
101885-60-3
Molecular Formula:
C18H35NO3
Molecular Weight:
313.4754
IUPAC Name:
2-acetamidohexadecanoic acid
InChI:
InChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(18(21)22)19-16(2)20/h17H,3-15H2,1-2H3,(H,19,20)(H,21,22)
InChI Key:
QKSZWOKZJCYLBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)O)NC(=O)C
NSC Number:
20185
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.262g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.482g/mol
Monoisotopic Mass:
313.262g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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