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117406-77-6 | Benzeneacetamide, 3,4-dihydroxy-α-propyl-, (αR)-
CAS No: 117406-77-6 Catalog No: AG000E9E MDL No:
Product Description
Catalog Number:
AG000E9E
Chemical Name:
Benzeneacetamide, 3,4-dihydroxy-α-propyl-, (αR)-
CAS Number:
117406-77-6
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
(2R)-2-(3,4-dihydroxyphenyl)pentanamide
InChI:
InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)/t8-/m1/s1
InChI Key:
GDXQWRJYXZXWMT-MRVPVSSYSA-N
SMILES:
CCC[C@H](c1ccc(c(c1)O)O)C(=O)N
UNII:
URL3839RBV
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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