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102128-74-5 | Propanamide, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-
CAS No: 102128-74-5 Catalog No: AG0006PA MDL No:
Product Description
Catalog Number:
AG0006PA
Chemical Name:
Propanamide, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-
CAS Number:
102128-74-5
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanamide
InChI:
InChI=1S/C12H16N2O3/c13-12(15)5-6-14-7-9-8-16-10-3-1-2-4-11(10)17-9/h1-4,9,14H,5-8H2,(H2,13,15)
InChI Key:
HHAWRZOCPUVVNZ-UHFFFAOYSA-N
SMILES:
NC(=O)CCNCC1COc2c(O1)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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