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125789-92-6 | BENZENEBUTANAMIDE, 3,4-DIHYDROXY-N-METHYL-
CAS No: 125789-92-6 Catalog No: AG000OR6 MDL No:
Product Description
Catalog Number:
AG000OR6
Chemical Name:
BENZENEBUTANAMIDE, 3,4-DIHYDROXY-N-METHYL-
CAS Number:
125789-92-6
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
4-(3,4-dihydroxyphenyl)-N-methylbutanamide
InChI:
InChI=1S/C11H15NO3/c1-12-11(15)4-2-3-8-5-6-9(13)10(14)7-8/h5-7,13-14H,2-4H2,1H3,(H,12,15)
InChI Key:
PQXPQDDLDOSVEK-UHFFFAOYSA-N
SMILES:
CNC(=O)CCCc1ccc(c(c1)O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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