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249289-10-9 | Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]-
CAS No: 249289-10-9 Catalog No: AG002PW1 MDL No:MFCD21606969
Product Description
Catalog Number:
AG002PW1
Chemical Name:
Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]-
CAS Number:
249289-10-9
Molecular Formula:
C21H35NO3
Molecular Weight:
349.5075
MDL Number:
MFCD21606969
IUPAC Name:
N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide
InChI:
InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)
InChI Key:
XDKYDMHKJNIXAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)CCC(NC(=O)C)(CO)CO
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.262g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.515g/mol
Monoisotopic Mass:
349.262g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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