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1087784-59-5 | N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1H-imidazole-1-carboxamide
CAS No: 1087784-59-5 Catalog No: AG019N17 MDL No:MFCD11099638
Product Description
Catalog Number:
AG019N17
Chemical Name:
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1H-imidazole-1-carboxamide
CAS Number:
1087784-59-5
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD11099638
IUPAC Name:
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole-1-carboxamide
InChI:
InChI=1S/C13H13N3O3/c17-13(16-6-5-14-9-16)15-7-10-8-18-11-3-1-2-4-12(11)19-10/h1-6,9-10H,7-8H2,(H,15,17)
InChI Key:
BYRDGFOAVZPIII-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NCC1COc2c(O1)cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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