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73073-99-1 | 1,3-Benzodioxole-5-propanamide, N-(2-methylpropyl)-
CAS No: 73073-99-1 Catalog No: AG005CJ2 MDL No:MFCD17827609
Product Description
Catalog Number:
AG005CJ2
Chemical Name:
1,3-Benzodioxole-5-propanamide, N-(2-methylpropyl)-
CAS Number:
73073-99-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD17827609
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)propanamide
InChI:
InChI=1S/C14H19NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,15,16)
InChI Key:
AJFSLACTVIYWHG-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)CCc1ccc2c(c1)OCO2)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:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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