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100079-22-9 | Benzamide, 3,4,5-trihydroxy-N-pentyl-
CAS No: 100079-22-9 Catalog No: AG0000UM MDL No:
Product Description
Catalog Number:
AG0000UM
Chemical Name:
Benzamide, 3,4,5-trihydroxy-N-pentyl-
CAS Number:
100079-22-9
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
3,4,5-trihydroxy-N-pentylbenzamide
InChI:
InChI=1S/C12H17NO4/c1-2-3-4-5-13-12(17)8-6-9(14)11(16)10(15)7-8/h6-7,14-16H,2-5H2,1H3,(H,13,17)
InChI Key:
YHAIVSVLSAOHGF-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)c1cc(O)c(c(c1)O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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