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100098-63-3 | Benzamide, N-(2-hydroxy-1,1-dimethylethyl)-3,4-dimethoxy-
CAS No: 100098-63-3 Catalog No: AG0000WC MDL No:
Product Description
Catalog Number:
AG0000WC
Chemical Name:
Benzamide, N-(2-hydroxy-1,1-dimethylethyl)-3,4-dimethoxy-
CAS Number:
100098-63-3
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
IUPAC Name:
N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethoxybenzamide
InChI:
InChI=1S/C13H19NO4/c1-13(2,8-15)14-12(16)9-5-6-10(17-3)11(7-9)18-4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChI Key:
WPCQPYYTUFMFDC-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)c1ccc(c(c1)OC)OC)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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